Compound Identification
SMILES
CC(=C)C(=O)OC[N+](C)(C)CCOC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=OYTNSLHNPSBHKM-UHFFFAOYSA-N
Formula
C22H32NO5
Mass
390.499
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
Dicarboxylic acids and derivatives Benzene and substituted derivatives Tetraalkylammonium salts Tertiary alcohols Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acyl choline - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tetraalkylammonium salt - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Aromatic alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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