2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(2-methoxyethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCOC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCOC)C

InChI

InChI=1S/C20H30N4O2S/c1-14-6-7-16-12-17(19(25)22-18(16)15(14)2)13-24(10-9-23(3)4)20(27)21-8-11-26-5/h6-7,12H,8-11,13H2,1-5H3,(H,21,27)(H,22,25)/p+1