Compound Identification
SMILES
[O-]C(=O)C([O-])=O.C[N+](C)(C)CC(O)CC#N
InChIKey
InChIKey=TZZVPAIYNRLTPR-UHFFFAOYSA-L
Formula
C9H15N2O5
Mass
231.229
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
Dicarboxylic acids and derivatives Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Nitriles Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Choline - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Amine - Alcohol - Organic anion - 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