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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C23H35N5O3S/c1-26(2)8-4-7-24-23(32)28(10-9-27-11-13-31-14-12-27)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