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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-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(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

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