Compound Identification
SMILES
[I-].CCCCCCC(=O)C(O)C[N+](C)(C)C
InChIKey
InChIKey=KCCXEZJLOLQNKS-UHFFFAOYSA-M
Formula
C12H26INO2
Mass
343.249
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
- Level 5 Cholines
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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
Not available
Direct Parent
Cholines
Alternative Parents
Monosaccharides Beta-amino ketones Acyloins Tetraalkylammonium salts Alpha-hydroxy ketones Secondary alcohols Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Acyloin - Beta-aminoketone - Monosaccharide - Alpha-hydroxy ketone - Tetraalkylammonium salt - Ketone - Secondary alcohol - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic iodide salt - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors
Not available