dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[3-(4-morpholin-4-iumyl)propyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H39N5O2S+2 MolecularWeight: 461.66376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H37N5O2S/c1-19-7-4-8-20-17-21(23(30)26-22(19)20)18-29(24(32)25-9-5-10-27(2)3)12-6-11-28-13-15-31-16-14-28/h4,7-8,17H,5-6,9-16,18H2,1-3H3,(H,25,32)(H,26,30)/p+2