Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=OYTNSLHNPSBHKM-UHFFFAOYSA-N

Formula

C22H32NO5

Mass

390.499

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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 - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tetraalkylammonium salt - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Aromatic alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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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