hexadecyl(trimethyl)azanium; 2-oxidanylbutanedioate

Systemtic Name: hexadecyl(trimethyl)azanium; 2-oxidanylbutanedioate Openeye Name: hexadecyl(trimethyl)ammonium; 2-hydroxybutanedioate CAS Name: hexadecyl(trimethyl)ammonium; 2-hydroxybutanedioate IUPAC Name: hexadecyl(trimethyl)azanium; 2-hydroxybutanedioate Traditional Name: cetyl(trimethyl)ammonium; 2-hydroxysuccinate Formula: C42H88N2O5 MolecularWeight: 701.15852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H42N.C4H6O5/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;5-2(4(8)9)1-3(6)7/h2*5-19H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/q2*+1;/p-2