Structure Information
Structure

Compound Identification

SMILES

CC[N+](CC)(CCOC(=O)C=C)CC1=CC=CC=C1

InChIKey

InChIKey=OWDRTAIRUSRYGX-UHFFFAOYSA-N

Formula

C16H24NO2

Mass

262.372

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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

Phenylmethylamines Benzylamines Aralkylamines Acrylic acid esters Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Acyl choline - Benzylamine - Phenylmethylamine - Aralkylamine - Acrylic acid ester - Monocyclic benzene moiety - Benzenoid - Acrylic acid or derivatives - 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 - 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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