Structure Information
Structure

Compound Identification

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC

InChIKey

InChIKey=FJDKBYFACUUWKN-UHFFFAOYSA-M

Formula

C20H43NO6S

Mass

425.63

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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

Not available

Substituents

Acyl choline - Fatty acid ester - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Fatty acyl - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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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