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

Systemtic Name: 1-methyl-4-octylsulfonyl-1-prop-2-enyl-piperazin-1-ium bromide Openeye Name: 1-allyl-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide CAS Name: 1-methyl-4-octylsulfonyl-1-prop-2-enylpiperazin-1-ium bromide IUPAC Name: 1-methyl-4-octylsulfonyl-1-prop-2-enylpiperazin-1-ium bromide Traditional Name: 1-allyl-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide Formula: C16H33BrN2O2S MolecularWeight: 397.41442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33N2O2S.BrH/c1-4-6-7-8-9-10-16-21(19,20)17-11-14-18(3,13-5-2)15-12-17;/h5H,2,4,6-16H2,1,3H3;1H/q+1;/p-1