Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CC(CC(O)=O)OC(=O)CCS

InChIKey

InChIKey=ZVFOVAGBQFTTIA-UHFFFAOYSA-O

Formula

C10H20NO4S

Mass

250.33

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