hexadecyl(methyl)azanium; 2-oxidanylbutane-1-sulfonate

Systemtic Name: hexadecyl(methyl)azanium; 2-oxidanylbutane-1-sulfonate Openeye Name: hexadecyl(methyl)ammonium; 2-hydroxybutane-1-sulfonate CAS Name: hexadecyl(methyl)ammonium; 2-hydroxy-1-butanesulfonate IUPAC Name: hexadecyl(methyl)azanium; 2-hydroxybutane-1-sulfonate Traditional Name: cetyl(methyl)ammonium; 2-hydroxybutane-1-sulfonate Formula: C21H47NO4S MolecularWeight: 409.66718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C.CCC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C.CCC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C17H37N.C4H10O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2;1-2-4(5)3-9(6,7)8/h18H,3-17H2,1-2H3;4-5H,2-3H2,1H3,(H,6,7,8)