Structure Information
Structure

Compound Identification

SMILES

CCCCCC\C(O)=C\[N+](CCO)(CCCC(O)=O)\C=C(/O)CCCCCC

InChIKey

InChIKey=GCALCAYZFDQFEW-AUYXYSRISA-O

Formula

C22H42NO5

Mass

400.579

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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

Not available

Direct Parent

Cholines

Alternative Parents

1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations

Molecular Framework

Aliphatic acyclic compounds

Substituents

Choline - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic cation - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.

External Descriptors

Not available

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