Compound Identification
SMILES
[I-].[I-].C[N+](C)(C)CCOC(=O)C=CC(=O)OCC[N+](C)(C)C
InChIKey
InChIKey=UCTSUCNPHOPEPQ-UHFFFAOYSA-L
Formula
C14H28I2N2O4
Mass
542.197
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 Dicarboxylic acids and derivatives Tetraalkylammonium salts Enoate esters Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl choline - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Tetraalkylammonium salt - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic cation - Aliphatic acyclic 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