Compound Identification
SMILES
[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl
InChIKey
InChIKey=QKVJMFRCFAEEQY-UHFFFAOYSA-M
Formula
C11H21Cl2NO3
Mass
286.19
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
Tetraalkylammonium salts Enoate esters Secondary alcohols Chlorohydrins 1,2-aminoalcohols Monocarboxylic acids and derivatives Organochlorides Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl choline - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-aminoalcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Alcohol - Organic oxide - 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