1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-4-one

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 3-besyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-quinolone Formula: C22H25FN3O3S+ MolecularWeight: 430.515603

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O3S/c1-3-25-15-21(30(28,29)16-7-5-4-6-8-16)22(27)17-13-18(23)20(14-19(17)25)26-11-9-24(2)10-12-26/h4-8,13-15H,3,9-12H2,1-2H3/p+1