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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octadecylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octadecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octadecylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-octadecylsulfonylpiperazin-1-ium bromide Traditional Name: 1-(4-fluorobenzyl)-1-methyl-4-stearylsulfonyl-piperazin-1-ium bromide Formula: C30H54BrFN2O2S MolecularWeight: 605.729363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(34,35)32-23-25-33(2,26-24-32)28-29-19-21-30(31)22-20-29;/h19-22H,3-18,23-28H2,1-2H3;1H/q+1;/p-1