6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-fluoro-4-[4-(4-fluorophenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 6-fluoro-4-[4-(4-fluorophenyl)piperazino]-3-tosyl-quinolin-1-ium Formula: C26H24F2N3O2S+ MolecularWeight: 480.549466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)F)F

InChI

InChI=1S/C26H23F2N3O2S/c1-18-2-9-22(10-3-18)34(32,33)25-17-29-24-11-6-20(28)16-23(24)26(25)31-14-12-30(13-15-31)21-7-4-19(27)5-8-21/h2-11,16-17H,12-15H2,1H3/p+1