Compound Identification
SMILES
CC1(CCC(=O)OCC[N+](C)(C)C)OCC(C[N+](C)(C)C)O1
InChIKey
InChIKey=FFMKFYHJXGYMJN-UHFFFAOYSA-N
Formula
C16H34N2O4
Mass
318.457
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
Ketals Fatty acid esters Tetraalkylammonium salts 1,3-dioxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acyl choline - Ketal - Fatty acid ester - Fatty acyl - Meta-dioxolane - Tetraalkylammonium salt - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - 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