hexadecyl(dimethyl)azanium; 2-(trimethylazaniumyl)ethanoate; ethanoate

Systemtic Name: hexadecyl(dimethyl)azanium; 2-(trimethylazaniumyl)ethanoate; ethanoate Openeye Name: hexadecyl(dimethyl)ammonium; 2-(trimethylammonio)acetate; acetate CAS Name: hexadecyl(dimethyl)ammonium; 2-(trimethylammonio)acetate; acetate IUPAC Name: hexadecyl(dimethyl)azanium; 2-(trimethylazaniumyl)acetate; acetate Traditional Name: cetyl(dimethyl)ammonium; 2-(trimethylammonio)acetate; acetate Formula: C25H54N2O4 MolecularWeight: 446.70726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39N.C5H11NO2.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-6(2,3)4-5(7)8;1-2(3)4/h4-18H2,1-3H3;4H2,1-3H3;1H3,(H,3,4)