2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[homoveratrylthiocarbamoyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C27H37N4O3S+ MolecularWeight: 497.67268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C27H36N4O3S/c1-18-13-19(2)25-21(14-18)16-22(26(32)29-25)17-31(12-11-30(3)4)27(35)28-10-9-20-7-8-23(33-5)24(15-20)34-6/h7-8,13-16H,9-12,17H2,1-6H3,(H,28,35)(H,29,32)/p+1