3-[8-[dodecyl(dimethyl)azaniumyl]octyl-dimethyl-azaniumyl]propane-1-sulfonate bromide

Systemtic Name: 3-[8-[dodecyl(dimethyl)azaniumyl]octyl-dimethyl-azaniumyl]propane-1-sulfonate bromide Openeye Name: 3-[8-[dodecyl(dimethyl)ammonio]octyl-dimethyl-ammonio]propane-1-sulfonate bromide CAS Name: 3-[8-[dodecyl(dimethyl)ammonio]octyl-dimethylammonio]-1-propanesulfonate bromide IUPAC Name: 3-[8-[dodecyl(dimethyl)azaniumyl]octyl-dimethylazaniumyl]propane-1-sulfonate bromide Traditional Name: 3-[8-[lauryl(dimethyl)ammonio]octyl-dimethyl-ammonio]propane-1-sulfonate bromide Formula: C27H59BrN2O3S MolecularWeight: 571.73796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C27H59N2O3S.BrH/c1-6-7-8-9-10-11-12-13-16-19-23-28(2,3)24-20-17-14-15-18-21-25-29(4,5)26-22-27-33(30,31)32;/h6-27H2,1-5H3;1H/q+1;/p-1