1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one

Systemtic Name: 1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Openeye Name: 1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 1-butyl-3-(3,5-dimethylphenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-quinolone Formula: C26H33FN3O3S+ MolecularWeight: 486.621923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H32FN3O3S/c1-5-6-7-30-17-25(34(32,33)20-13-18(2)12-19(3)14-20)26(31)21-15-22(27)24(16-23(21)30)29-10-8-28(4)9-11-29/h12-17H,5-11H2,1-4H3/p+1