Structure Information
Structure

Compound Identification

SMILES

CCC(CC(C)(C)C(=O)OCC[N+](C)(C)C)N1CCCC1=O

InChIKey

InChIKey=BWXZDOKLIWCRDX-UHFFFAOYSA-N

Formula

C17H33N2O3

Mass

313.461

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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 - Fatty acid ester - Fatty acyl - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organooxygen compound - 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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