Compound Identification
SMILES
[I-].CC(C)(C)C1=CC(C[N+](C)(C)C)=C(O)C=C1
InChIKey
InChIKey=UYGITAMKZDJQQC-UHFFFAOYSA-N
Formula
C14H24INO
Mass
349.256
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 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Organooxygen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Phenylpropane - Benzylamine - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Amine - Organic nitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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