3-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-hydroxyethyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCO)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCO)C(=S)NCCC[NH+](C)C)C

InChI

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