Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCCCCCCCCCCC1=CC=C(C[N+](CC)(CC)CCOC(=O)C(C)=C)C=C1

InChIKey

InChIKey=NEOOMTBMVQHLAS-UHFFFAOYSA-M

Formula

C29H50ClNO2

Mass

480.17

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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 - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organooxygen compound - Organic salt - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - 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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