Compound Identification
SMILES
CCC(C)(CC(C)(CC(C)C(=O)N1CCOCC1)C(=O)OCCN)C(=O)OCC[N+](C)(C)C
InChIKey
InChIKey=FJJHRMJEEIHZEH-UHFFFAOYSA-N
Formula
C24H46N3O6
Mass
472.646
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 Morpholines Tetraalkylammonium salts Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acyl choline - Fatty acid ester - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Fatty acyl - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Primary amine - Organic oxygen compound - Organic cation - Aliphatic 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