Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOC(=O)C(C)=C

InChIKey

InChIKey=HLHPVXOCSMDWSI-UHFFFAOYSA-N

Formula

C25H50NO4

Mass

428.677

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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

Aliphatic acyclic compounds

Substituents

Acyl choline - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Alcohol - Organooxygen compound - Organic cation - Aliphatic acyclic 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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