Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCC(=O)O[C@H](CC(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[N+](C)(C)C

InChIKey

InChIKey=MIIHCUFGIHMMNR-JOCHJYFZSA-N

Formula

C28H47F9NO4

Mass

632.672

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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 - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Alkyl halide - 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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