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

Systemtic Name: 6-fluoranyl-1-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-6-fluoro-1-methyl-7-(4-methyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-6-fluoro-1-methyl-7-(4-methylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 3-besyl-6-fluoro-1-methyl-7-(4-methylpiperazin-4-ium-1-yl)-4-quinolone Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)C)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)C)F

InChI

InChI=1S/C21H22FN3O3S/c1-23-8-10-25(11-9-23)19-13-18-16(12-17(19)22)21(26)20(14-24(18)2)29(27,28)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/p+1