6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 6-fluoro-4-(4-phenylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 6-fluoro-4-(4-phenylpiperazino)-3-tosyl-quinolin-1-ium Formula: C26H25FN3O2S+ MolecularWeight: 462.559003

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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=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2S/c1-19-7-10-22(11-8-19)33(31,32)25-18-28-24-12-9-20(27)17-23(24)26(25)30-15-13-29(14-16-30)21-5-3-2-4-6-21/h2-12,17-18H,13-16H2,1H3/p+1