Compound Identification
SMILES
[I-].CC(=O)C(C1=CC=CC=C1)[N+](C)(C)C
InChIKey
InChIKey=QHNFIMALAQHTQN-UHFFFAOYSA-M
Formula
C12H18INO
Mass
319.186
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 Aralkylamines Tetraalkylammonium salts Alpha-amino ketones Organic oxides Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Phenylpropane - Aralkylamine - Alpha-aminoketone - Quaternary ammonium salt - Tetraalkylammonium salt - Ketone - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic iodide salt - 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