6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-(4-methylpiperidin-1-yl)carbonyl-1H-quinolin-4-one

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-(4-methylpiperidin-1-yl)carbonyl-1H-quinolin-4-one Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-4-one CAS Name: 6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-3-[(4-methyl-1-piperidinyl)-oxomethyl]-1H-quinolin-4-one IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-4-one Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3-(4-methylpiperidine-1-carbonyl)-4-quinolone Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H28N4O4S/c1-15-5-7-24(8-6-15)21(27)18-14-22-19-4-3-16(13-17(19)20(18)26)30(28,29)25-11-9-23(2)10-12-25/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)/p+1