1-methyl-4-octadecylsulfonyl-1-prop-2-enyl-piperazin-1-ium bromide

Systemtic Name: 1-methyl-4-octadecylsulfonyl-1-prop-2-enyl-piperazin-1-ium bromide Openeye Name: 1-allyl-1-methyl-4-octadecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-methyl-4-octadecylsulfonyl-1-prop-2-enylpiperazin-1-ium bromide IUPAC Name: 1-methyl-4-octadecylsulfonyl-1-prop-2-enylpiperazin-1-ium bromide Traditional Name: 1-allyl-1-methyl-4-stearylsulfonyl-piperazin-1-ium bromide Formula: C26H53BrN2O2S MolecularWeight: 537.68022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H53N2O2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-31(29,30)27-21-24-28(3,23-5-2)25-22-27;/h5H,2,4,6-26H2,1,3H3;1H/q+1;/p-1