Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CCOC(=O)C1C(C(C1C1=CC=CC=C1)C(=O)OCC[N+](C)(C)C)C1=CC=CC=C1

InChIKey

InChIKey=XQUHGLCJZQGBGT-UHFFFAOYSA-N

Formula

C28H40N2O4

Mass

468.637

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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 - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - 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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