Compound Identification
SMILES
C[N+](C)(C)CCO.CN1C2=C(NC=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=RIKWPUSWRKPQAB-UHFFFAOYSA-N
Formula
C12H22N5O3
Mass
284.339
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 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Amine - Alcohol - Organic cation - Aromatic heteropolycyclic 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