1-[hexadecyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 1-[hexadecyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 1-[hexadecyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 1-[hexadecyl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 1-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 1-[cetyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C21H45NO4S MolecularWeight: 407.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(C)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(C)O)S(=O)(=O)[O-]

InChI

InChI=1S/C21H45NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(3,4)21(20(2)23)27(24,25)26/h20-21,23H,5-19H2,1-4H3