Compound Identification
SMILES
[Br-].CC[N+](CC)(CC)CCO.[O-]C(=O)NCCC1=CC=CC=C1
InChIKey
InChIKey=REHJPUGZCPGDED-UHFFFAOYSA-L
Formula
C17H30BrN2O3
Mass
390.343
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
Benzene and substituted derivatives Tetraalkylammonium salts Carbamic acids 1,2-aminoalcohols Primary alcohols Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Choline - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - 1,2-aminoalcohol - Carbamic acid - Carbamic acid derivative - Alkanolamine - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Carbonyl group - Organic salt - Organic bromide salt - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - Aromatic homomonocyclic 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