hexadecyl(dimethyl)azanium; 2-oxidanylbutanedioate

Systemtic Name: hexadecyl(dimethyl)azanium; 2-oxidanylbutanedioate Openeye Name: hexadecyl(dimethyl)ammonium; 2-hydroxybutanedioate CAS Name: hexadecyl(dimethyl)ammonium; 2-hydroxybutanedioate IUPAC Name: hexadecyl(dimethyl)azanium; 2-hydroxybutanedioate Traditional Name: cetyl(dimethyl)ammonium; 2-hydroxysuccinate Formula: C40H84N2O5 MolecularWeight: 673.10536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H39N.C4H6O5/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;5-2(4(8)9)1-3(6)7/h2*4-18H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)