3-[dimethyl(prop-2-enyl)azaniumyl]propyl-octadecylsulfonyl-azanide hydrobromide

Systemtic Name: 3-[dimethyl(prop-2-enyl)azaniumyl]propyl-octadecylsulfonyl-azanide hydrobromide Openeye Name: 3-[allyl(dimethyl)ammonio]propyl-octadecylsulfonyl-azanide hydrobromide CAS Name: 3-[dimethyl(prop-2-enyl)ammonio]propyl-octadecylsulfonylazanide hydrobromide IUPAC Name: 3-[dimethyl(prop-2-enyl)azaniumyl]propyl-octadecylsulfonylazanide hydrobromide Traditional Name: 3-[allyl(dimethyl)ammonio]propyl-stearylsulfonyl-azanide hydrobromide Formula: C26H55BrN2O2S MolecularWeight: 539.6961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54N2O2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31(29,30)27-23-22-25-28(3,4)24-6-2;/h6H,2,5,7-26H2,1,3-4H3;1H