Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=XSPKQMNUNNSJIQ-UHFFFAOYSA-O

Formula

C9H17BrNO4

Mass

283.141

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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 - Halogenated fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Alkyl halide - Organooxygen compound - 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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