3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[3-(dodecanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[dimethyl-[3-(1-oxododecylamino)propyl]ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 2-hydroxy-3-[3-(lauroylamino)propyl-dimethyl-ammonio]propane-1-sulfonate Formula: C20H42N2O5S MolecularWeight: 422.62288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27)