1.0 2026-09-22 09:07:45 UTC 2026-09-22 09:07:45 UTC FDB118016 ToTo-1 cation 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonio]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]ammonium 3-[dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium C49H58N6S2 795.155 794.416437266 2-({1-[3-({3-[dimethyl(3-{4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,4-dihydroquinolin-1-yl}propyl)azaniumyl]propyl}dimethylazaniumyl)propyl]-1,4-dihydroquinolin-4-ylidene}methyl)-3-methyl-1,3-benzothiazol-3-ium 2-({1-[3-({3-[dimethyl(3-{4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]quinolin-1-yl}propyl)ammonio]propyl}dimethylammonio)propyl]quinolin-4-ylidene}methyl)-3-methyl-1,3-benzothiazol-3-ium C[N+]1=C(SC2=CC=CC=C12)C=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=CC3=[N+](C)C4=CC=CC=C4S3)C3=CC=CC=C23)C2=CC=CC=C12 InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4 RUIOCPBCVXVVMB-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Hydroquinolones Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Aromatic heteropolycyclic compounds Allylamines Azacyclic compounds Benzenoids Benzothiazoles Enamines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Organic cations Organic salts Organopnictogen compounds Tertiary alkylarylamines Tetraalkylammonium salts Thiazoles 1,3-benzothiazole Allylamine Amine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Dihydroquinoline Dihydroquinolone Enamine Heteroaromatic compound Hydrocarbon derivative Organic cation Organic nitrogen compound Organic salt Organonitrogen compound Organopnictogen compound Quaternary ammonium salt Tertiary aliphatic/aromatic amine Tertiary amine Tetraalkylammonium salt Thiazole benzothiazolium ion cyanine dye quaternary ammonium ion quinolinium ion logp -0.49 ALOGPS logs -7.44 ALOGPS solubility 3.39e-05 g/l ALOGPS logp -7.8 ChemAxon pka_strongest_basic 1.07 ChemAxon iupac 2-({1-[3-({3-[dimethyl(3-{4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,4-dihydroquinolin-1-yl}propyl)azaniumyl]propyl}dimethylazaniumyl)propyl]-1,4-dihydroquinolin-4-ylidene}methyl)-3-methyl-1,3-benzothiazol-3-ium ChemAxon average_mass 795.155 ChemAxon mono_mass 794.416437266 ChemAxon smiles C[N+]1=C(SC2=CC=CC=C12)C=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=CC3=[N+](C)C4=CC=CC=C4S3)C3=CC=CC=C23)C2=CC=CC=C12 ChemAxon formula C49H58N6S2 ChemAxon inchi InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4 ChemAxon inchikey RUIOCPBCVXVVMB-UHFFFAOYSA-N ChemAxon polar_surface_area 14.24 ChemAxon refractivity 290.52 ChemAxon polarizability 95.75 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 4 ChemAxon formal_charge 4 ChemAxon