N-butyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-butyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-butyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-butyl-6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-butyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-butyl-4-keto-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-quinoline-3-carboxamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O4S/c1-3-4-7-20-19(25)16-13-21-17-6-5-14(12-15(17)18(16)24)28(26,27)23-10-8-22(2)9-11-23/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,25)(H,21,24)/p+1