dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl]azanium Openeye Name: 3-[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-hydroxypropyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H30N4O2S/c1-15-7-4-8-16-13-17(19(26)22-18(15)16)14-24(11-6-12-25)20(27)21-9-5-10-23(2)3/h4,7-8,13,25H,5-6,9-12,14H2,1-3H3,(H,21,27)(H,22,26)/p+1