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

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,8-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=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-14-10-15(2)18-16(11-14)12-17(19(25)22-18)13-24(8-7-23(3)4)20(27)21-6-9-26-5/h10-12H,6-9,13H2,1-5H3,(H,21,27)(H,22,25)/p+1