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

Systemtic Name: 1-ethyl-1-[(4-fluorophenyl)methyl]-4-tetradecylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-ethyl-1-[(4-fluorophenyl)methyl]-4-tetradecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-ethyl-1-[(4-fluorophenyl)methyl]-4-tetradecylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-ethyl-1-[(4-fluorophenyl)methyl]-4-tetradecylsulfonylpiperazin-1-ium bromide Traditional Name: 1-ethyl-1-(4-fluorobenzyl)-4-myristylsulfonyl-piperazin-1-ium bromide Formula: C27H48BrFN2O2S MolecularWeight: 563.649623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48FN2O2S.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-33(31,32)29-20-22-30(4-2,23-21-29)25-26-16-18-27(28)19-17-26;/h16-19H,3-15,20-25H2,1-2H3;1H/q+1;/p-1