Compound Identification
SMILES
[I-].CC(C)(O)C1=CC=C(C[N+](C)(C)C)C=C1
InChIKey
InChIKey=ZZDYKRAWZMZVTL-UHFFFAOYSA-M
Formula
C13H22INO
Mass
335.229
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 Benzylamines Aralkylamines Tetraalkylammonium salts Tertiary alcohols Organic zwitterions Organic iodide salts Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Phenylpropane - Benzylamine - Phenylmethylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary alcohol - Alcohol - Organic zwitterion - Aromatic alcohol - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - 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