3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[3-(dodecanoylamino)propyl-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[3-(1-oxododecylamino)propyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[3-(lauroylamino)propyl-dimethyl-ammonio]propane-1-sulfonate Formula: C20H42N2O4S MolecularWeight: 406.62348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C20H42N2O4S/c1-4-5-6-7-8-9-10-11-12-15-20(23)21-16-13-17-22(2,3)18-14-19-27(24,25)26/h4-19H2,1-3H3,(H-,21,23,24,25,26)