Structure Information
Structure

Compound Identification

SMILES

CCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCOC1=CC=CC=C1

InChIKey

InChIKey=CHKAXDCTTDUZOK-OAQYLSRUSA-N

Formula

C23H38NO5

Mass

408.558

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Tetraalkylammonium salt - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - 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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