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

Systemtic Name: 3-[hexadecyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[hexadecyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[hexadecyl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[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)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C21H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,3)19-21(23)20-27(24,25)26/h21,23H,4-20H2,1-3H3