4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-6-methyl-3-tosyl-quinolin-1-ium Formula: C27H27FN3O2S+ MolecularWeight: 476.585583

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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=C5F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=CC=C5F)C

InChI

InChI=1S/C27H26FN3O2S/c1-19-7-10-21(11-8-19)34(32,33)26-18-29-24-12-9-20(2)17-22(24)27(26)31-15-13-30(14-16-31)25-6-4-3-5-23(25)28/h3-12,17-18H,13-16H2,1-2H3/p+1