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

Systemtic Name: 3-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H39N5O2S+2 MolecularWeight: 461.66376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

InChI

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