Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Alkyldimethylbenzylammonium halides

Intermediate Tree Nodes

Not available

Direct Parent

Alkyldimethylbenzylammonium halides

Alternative Parents

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

Previous Back Next