hexadecyl(trimethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: hexadecyl(trimethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: hexadecyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: hexadecyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: hexadecyl(trimethyl)azanium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: cetyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C23H47NO6 MolecularWeight: 433.62238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C4H6O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;5-1(3(7)8)2(6)4(9)10/h5-19H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1