Structure Information
Structure

Compound Identification

SMILES

[I-].[I-].C[N+](C)(C)CCOC(=O)CC[N+]1(C)CCCC1

InChIKey

InChIKey=PVYNXGROYAXAAP-UHFFFAOYSA-L

Formula

C13H28I2N2O2

Mass

498.188

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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 - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - 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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