1-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-pyridin-1-ium-2-yl]-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-pyridin-1-ium-2-yl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[4,6-dimethyl-3-(p-tolylsulfonyl)pyridin-1-ium-2-yl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridin-1-iumyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridin-1-ium-2-yl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-(4,6-dimethyl-3-tosyl-pyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine Formula: C24H27FN3O2S+ MolecularWeight: 440.553483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C=C2C)C)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C=C2C)C)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H26FN3O2S/c1-17-8-10-20(11-9-17)31(29,30)23-18(2)16-19(3)26-24(23)28-14-12-27(13-15-28)22-7-5-4-6-21(22)25/h4-11,16H,12-15H2,1-3H3/p+1