dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[3-(4-morpholin-4-iumyl)propyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-6-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=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H37N5O2S/c1-19-6-7-22-20(16-19)17-21(23(30)26-22)18-29(24(32)25-8-4-9-27(2)3)11-5-10-28-12-14-31-15-13-28/h6-7,16-17H,4-5,8-15,18H2,1-3H3,(H,25,32)(H,26,30)/p+2