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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-tetradecylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-tetradecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-tetradecylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-methyl-4-tetradecylsulfonylpiperazin-1-ium bromide Traditional Name: 1-(4-fluorobenzyl)-1-methyl-4-myristylsulfonyl-piperazin-1-ium bromide Formula: C26H46BrFN2O2S MolecularWeight: 549.623043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-32(30,31)28-19-21-29(2,22-20-28)24-25-15-17-26(27)18-16-25;/h15-18H,3-14,19-24H2,1-2H3;1H/q+1;/p-1