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

Systemtic Name: 2-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C23H37N5O3S+2 MolecularWeight: 463.63658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C23H35N5O3S/c1-26(2)9-10-28(23(32)24-7-4-8-27-11-13-31-14-12-27)17-19-15-18-16-20(30-3)5-6-21(18)25-22(19)29/h5-6,15-16H,4,7-14,17H2,1-3H3,(H,24,32)(H,25,29)/p+2