Structure Information
Structure

Compound Identification

SMILES

[Br-].[Br-].CCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1.CCCCCCCCCCCC(=O)OCC[N+](CC)(CC)CC

InChIKey

InChIKey=KIDJBTPKAFJJHW-UHFFFAOYSA-L

Formula

C39H74Br2N2O4

Mass

794.839

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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 - Pyridine - Pyridinium - Fatty acyl - Tetraalkylammonium salt - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic bromide salt - Organic salt - Carbonyl group - Organic cation - Aromatic heteromonocyclic 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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