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

Systemtic Name: 1-methyl-1-prop-2-enyl-4-tetradecylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-allyl-1-methyl-4-tetradecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-methyl-1-prop-2-enyl-4-tetradecylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-methyl-1-prop-2-enyl-4-tetradecylsulfonylpiperazin-1-ium bromide Traditional Name: 1-allyl-1-methyl-4-myristylsulfonyl-piperazin-1-ium bromide Formula: C22H45BrN2O2S MolecularWeight: 481.5739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H45N2O2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-22-27(25,26)23-17-20-24(3,19-5-2)21-18-23;/h5H,2,4,6-22H2,1,3H3;1H/q+1;/p-1