3-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[3-(4-morpholin-4-iumyl)propyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H41N5O2S+2 MolecularWeight: 475.69034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C25H39N5O2S/c1-19-15-20(2)23-21(16-19)17-22(24(31)27-23)18-30(25(33)26-7-5-8-28(3)4)10-6-9-29-11-13-32-14-12-29/h15-17H,5-14,18H2,1-4H3,(H,26,33)(H,27,31)/p+2