[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-yl-piperazin-1-yl]-hexylsulfonyl-dimethyl-azanium

Systemtic Name: [3-(4-fluorophenyl)-2-methyl-2-pyridin-2-yl-piperazin-1-yl]-hexylsulfonyl-dimethyl-azanium Openeye Name: [3-(4-fluorophenyl)-2-methyl-2-(2-pyridyl)piperazin-1-yl]-hexylsulfonyl-dimethyl-ammonium CAS Name: [3-(4-fluorophenyl)-2-methyl-2-(2-pyridinyl)-1-piperazinyl]-hexylsulfonyl-dimethylammonium IUPAC Name: [3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpiperazin-1-yl]-hexylsulfonyl-dimethylazanium Traditional Name: [3-(4-fluorophenyl)-2-methyl-2-(2-pyridyl)piperazino]-hexylsulfonyl-dimethyl-ammonium Formula: C24H36FN4O2S+ MolecularWeight: 463.631643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)[N+](C)(C)N1CCNC(C1(C)C2=CC=CC=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCS(=O)(=O)[N+](C)(C)N1CCNC(C1(C)C2=CC=CC=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H36FN4O2S/c1-5-6-7-10-19-32(30,31)29(3,4)28-18-17-27-23(20-12-14-21(25)15-13-20)24(28,2)22-11-8-9-16-26-22/h8-9,11-16,23,27H,5-7,10,17-19H2,1-4H3/q+1