Compound Identification
SMILES
[I-].[I-].CC(CC(=O)OCC[N+](C)(C)C)[N+]1(C)CCOCC1
InChIKey
InChIKey=IKBCDNVRZCROQZ-UHFFFAOYSA-L
Formula
C14H30I2N2O3
Mass
528.214
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 Morpholines Tetraalkylammonium salts Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acyl choline - Fatty acid ester - Morpholine - Oxazinane - Fatty acyl - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organooxygen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic iodide salt - 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