Structure Information
Structure

Compound Identification

SMILES

CCCC(CCC)C(=O)OC[N+](C)(C)CCOC(=O)C(O)(C1CCCC1)C1=CC=CC=C1

InChIKey

InChIKey=OFXFCIJROMJWPW-UHFFFAOYSA-N

Formula

C26H42NO5

Mass

448.623

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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

Aromatic homomonocyclic compounds

Substituents

Acyl choline - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - Aromatic homomonocyclic 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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