3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Openeye Name: 3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)sulfonyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-quinolone Formula: C24H29FN3O3S+ MolecularWeight: 458.568763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H28FN3O3S/c1-5-27-15-23(32(30,31)22-12-16(2)6-7-17(22)3)24(29)18-13-19(25)21(14-20(18)27)28-10-8-26(4)9-11-28/h6-7,12-15H,5,8-11H2,1-4H3/p+1