Compound Identification
SMILES
[O-][Cl](=O)(=O)=O.C[N+](C)(C)CCOC(=O)CBr
InChIKey
InChIKey=KHZKLCMOCNZYCG-UHFFFAOYSA-M
Formula
C7H15BrClNO6
Mass
324.55
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
Organic perchlorates Organic perchlorate salts Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Alkyl bromides Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl choline - Organic perchlorate salt - Organic perchlorate - Alpha-halocarboxylic acid derivative - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Organic chlorate - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organobromide - Organic salt - Organohalogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organooxygen compound - Organic cation - Aliphatic acyclic 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