Compound Identification
SMILES
[Cl-].[Cl-].CC(COC(=O)C=C)[N+](C)(C)C.CC(COC(=O)C=C)[N+](C)(C)C
InChIKey
InChIKey=PXIBJGIQGQCTHU-UHFFFAOYSA-L
Formula
C18H36Cl2N2O4
Mass
415.4
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
Acrylic acid esters Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Not available
Substituents
Acyl choline - Acrylic acid ester - Acrylic acid or derivatives - Tetraalkylammonium salt - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic chloride salt - 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