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

Systemtic Name: 3-[3-(hexadecanoylamino)propyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[3-(hexadecanoylamino)propyl-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[3-(1-oxohexadecylamino)propyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl(3-palmitamidopropyl)ammonio]propane-1-sulfonate Formula: C24H50N2O4S MolecularWeight: 462.7298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)25-20-17-21-26(2,3)22-18-23-31(28,29)30/h4-23H2,1-3H3,(H-,25,27,28,29,30)