1-cyclopropyl-6-fluoranyl-7-[1-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]quinolin-4-one

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[1-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]quinolin-4-one Openeye Name: 1-cyclopropyl-6-fluoro-7-[1-(p-tolylsulfonyl)piperazin-1-ium-1-yl]quinolin-4-one CAS Name: 1-cyclopropyl-6-fluoro-7-[1-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-4-quinolinone IUPAC Name: 1-cyclopropyl-6-fluoro-7-[1-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]quinolin-4-one Traditional Name: 1-cyclopropyl-6-fluoro-7-(1-tosylpiperazin-1-ium-1-yl)-4-quinolone Formula: C23H25FN3O3S+ MolecularWeight: 442.526303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C3=C(C=C4C(=O)C=CN(C4=C3)C5CC5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C3=C(C=C4C(=O)C=CN(C4=C3)C5CC5)F

InChI

InChI=1S/C23H25FN3O3S/c1-16-2-6-18(7-3-16)31(29,30)27(12-9-25-10-13-27)22-15-21-19(14-20(22)24)23(28)8-11-26(21)17-4-5-17/h2-3,6-8,11,14-15,17,25H,4-5,9-10,12-13H2,1H3/q+1