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

Systemtic Name: 3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCCC[NH+](C)C

InChI

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