hexadecyl(dimethyl)azanium; propane-1-sulfonate

Systemtic Name: hexadecyl(dimethyl)azanium; propane-1-sulfonate Openeye Name: hexadecyl(dimethyl)ammonium; propane-1-sulfonate CAS Name: hexadecyl(dimethyl)ammonium; 1-propanesulfonate IUPAC Name: hexadecyl(dimethyl)azanium; propane-1-sulfonate Traditional Name: cetyl(dimethyl)ammonium; propane-1-sulfonate Formula: C21H47NO3S MolecularWeight: 393.66778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)C.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)C.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H39N.C3H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-7(4,5)6/h4-18H2,1-3H3;2-3H2,1H3,(H,4,5,6)