Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C

InChIKey

InChIKey=YSVYWVPJJXVIFM-UHFFFAOYSA-N

Formula

C25H50ClNO4

Mass

464.13

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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 - Fatty acyl - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Amine - Organooxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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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