Structure Information
Structure

Compound Identification

SMILES

CC1(CCC(=O)OCC[N+](C)(C)C)OCC(C[N+](C)(C)C)O1

InChIKey

InChIKey=FFMKFYHJXGYMJN-UHFFFAOYSA-N

Formula

C16H34N2O4

Mass

318.457

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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 heteromonocyclic compounds

Substituents

Acyl choline - Ketal - Fatty acid ester - Fatty acyl - Meta-dioxolane - Tetraalkylammonium salt - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic cation - Aliphatic heteromonocyclic 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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