hexadecyl-dimethyl-(11-oxidanyl-11-oxidanylidene-undecyl)azanium; 2-(trimethylazaniumyl)ethanoate; hydroxide

Systemtic Name: hexadecyl-dimethyl-(11-oxidanyl-11-oxidanylidene-undecyl)azanium; 2-(trimethylazaniumyl)ethanoate; hydroxide Openeye Name: hexadecyl-(11-hydroxy-11-oxo-undecyl)-dimethyl-ammonium; 2-(trimethylammonio)acetate; hydroxide CAS Name: hexadecyl-(11-hydroxy-11-oxoundecyl)-dimethylammonium; 2-(trimethylammonio)acetate; hydroxide IUPAC Name: hexadecyl-(11-hydroxy-11-oxoundecyl)-dimethylazanium; 2-(trimethylazaniumyl)acetate; hydroxide Traditional Name: cetyl-(11-hydroxy-11-keto-undecyl)-dimethyl-ammonium; 2-(trimethylammonio)acetate; hydroxide Formula: C34H72N2O5 MolecularWeight: 588.94588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H59NO2.C5H11NO2.H2O/c1-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-30(2,3)28-25-22-19-16-14-17-20-23-26-29(31)32;1-6(2,3)4-5(7)8;/h4-28H2,1-3H3;4H2,1-3H3;1H2