Compound Identification
SMILES
[Br-].CN(C)C(=O)OC1=C(C[N+](C)(C)C)C=C(C=C1)C(C)(C)C
InChIKey
InChIKey=AQAYVHOFACTEQW-UHFFFAOYSA-M
Formula
C17H29BrN2O2
Mass
373.335
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
Phenylpropanes Phenylmethylamines Phenoxy compounds Benzylamines Aralkylamines Tetraalkylammonium salts Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Phenylpropane - Benzylamine - Phenoxy compound - Phenylmethylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Carbamic acid ester - Carbonic acid derivative - Amine - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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