3-[[2-hydroxyethyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-hydroxyethyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-hydroxyethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-hydroxyethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-hydroxyethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-hydroxyethyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C19H28N4O2S/c1-14-5-6-17-15(11-14)12-16(18(25)21-17)13-23(9-10-24)19(26)20-7-4-8-22(2)3/h5-6,11-12,24H,4,7-10,13H2,1-3H3,(H,20,26)(H,21,25)/p+1