1-[(4-fluorophenyl)methyl]-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide CAS Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octylsulfonylpiperazin-1-ium bromide Traditional Name: 1-(4-fluorobenzyl)-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide Formula: C20H34BrFN2O2S MolecularWeight: 465.463563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=C(C=C2)F.[Br-]

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=C(C=C2)F.[Br-]

InChI

InChI=1S/C20H34FN2O2S.BrH/c1-3-4-5-6-7-8-17-26(24,25)22-13-15-23(2,16-14-22)18-19-9-11-20(21)12-10-19;/h9-12H,3-8,13-18H2,1-2H3;1H/q+1;/p-1