Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCC(C(=O)OCC[N+](C)(C)C)S(O)(=O)=O

InChIKey

InChIKey=ZKZZADMKOUKBGW-UHFFFAOYSA-O

Formula

C21H44NO5S

Mass

422.64

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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 - Organic sulfonic acid or derivatives - Tetraalkylammonium salt - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - 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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