Compound Identification
SMILES
[Br-].[Br-].CCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1.CCCCCCCCCCCC(=O)OCC[N+](CC)(CC)CC
InChIKey
InChIKey=KIDJBTPKAFJJHW-UHFFFAOYSA-L
Formula
C39H74Br2N2O4
Mass
794.839
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
-
Level 5
Cholines
- Level 6 Acyl cholines
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Level 5
Cholines
-
Subclass
Quaternary ammonium salts
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Cholines
Direct Parent
Acyl cholines
Alternative Parents
Fatty acid esters Pyridinium derivatives Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Not available
Substituents
Acyl choline - Fatty acid ester - Pyridine - Pyridinium - Fatty acyl - Tetraalkylammonium salt - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic bromide salt - Organic salt - Carbonyl group - Organic cation - Aromatic 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