Compound Identification
SMILES
C[N+](C)(CCOCCOCC[N+](C)(C)CCOC(=O)C=C)CCOOCC=C
InChIKey
InChIKey=HNASPMCAJSDIAK-UHFFFAOYSA-N
Formula
C20H40N2O6
Mass
404.547
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
-
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 Dialkyl peroxides Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl choline - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Dialkyl peroxide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - 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