Structure Information
Structure

Compound Identification

SMILES

[I-].[I-].C[N+](C)(C)CCOC(=O)C=CC(=O)OCC[N+](C)(C)C

InChIKey

InChIKey=UCTSUCNPHOPEPQ-UHFFFAOYSA-L

Formula

C14H28I2N2O4

Mass

542.197

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Quaternary ammonium salts

Intermediate Tree Nodes

Cholines

Direct Parent

Acyl cholines

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Acyl choline - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Tetraalkylammonium salt - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic cation - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.

External Descriptors

Not available

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