Compound Identification
SMILES
[I-].[I-].C[N+](C)(C)CCOC(=O)CC[N+]1(C)CCCC1
InChIKey
InChIKey=PVYNXGROYAXAAP-UHFFFAOYSA-L
Formula
C13H28I2N2O2
Mass
498.188
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
N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acyl choline - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - 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