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

Systemtic Name: 4-dodecylsulfonyl-1-methyl-1-prop-2-enyl-piperazin-1-ium bromide Openeye Name: 1-allyl-4-dodecylsulfonyl-1-methyl-piperazin-1-ium bromide CAS Name: 4-dodecylsulfonyl-1-methyl-1-prop-2-enylpiperazin-1-ium bromide IUPAC Name: 4-dodecylsulfonyl-1-methyl-1-prop-2-enylpiperazin-1-ium bromide Traditional Name: 1-allyl-4-laurylsulfonyl-1-methyl-piperazin-1-ium bromide Formula: C20H41BrN2O2S MolecularWeight: 453.52074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H41N2O2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-20-25(23,24)21-15-18-22(3,17-5-2)19-16-21;/h5H,2,4,6-20H2,1,3H3;1H/q+1;/p-1