Compound Identification
SMILES
[Cl-].CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(O)CCl
InChIKey
InChIKey=LABKLUVCGXWNBH-UHFFFAOYSA-N
Formula
C27H57Cl2N3O2
Mass
526.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
- 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
Not available
Direct Parent
Cholines
Alternative Parents
Tetraalkylammonium salts Ureas Secondary alcohols Chlorohydrins 1,2-aminoalcohols Organochlorides Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Chlorohydrin - Halohydrin - Secondary alcohol - Urea - Organic oxygen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organochloride - Organohalogen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - 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