Structure Information
Structure

Compound Identification

SMILES

[Br-].C[N+](C)(C)CCOC(=O)C(O)(C1=CC2CCC1C2)C1=CC=CC=C1

InChIKey

InChIKey=JRAJKYFPWBIRJD-UHFFFAOYSA-M

Formula

C20H28BrNO3

Mass

410.352

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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

Aromatic homopolycyclic compounds

Substituents

Acyl choline - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organooxygen compound - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Aromatic homopolycyclic 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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