Compound Identification
SMILES
[Br-].[O-]C(=O)CC1=CC=CC=C1.[O-]C(=O)CC1=CC=CC=C1.C[N+](C)(C)C(CO)C1=CC=CC=C1
InChIKey
InChIKey=IFUIQVLAPLHXDG-UHFFFAOYSA-K
Formula
C27H32BrNO5
Mass
530.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Alkyldimethylbenzylammonium halides
Intermediate Tree Nodes
Not available
Direct Parent
Alkyldimethylbenzylammonium halides
Alternative Parents
Cholines Aralkylamines Tetraalkylammonium salts Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Alkyldimethylbenzylammonium halide - Choline - Aralkylamine - Quaternary ammonium salt - Tetraalkylammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic bromide salt - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Alcohol - Organic oxide - Carbonyl group - Amine - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium halides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a halogen ion and have the general structure R1[N+](CH3)(CH3)R2.[X-], where R1 = benzyl group, R2 = alkyl chain, and X = halogen atom.
External Descriptors
Not available