Compound Identification
SMILES
[I-].CCC(C1=CC(O)=CC=C1)[N+](C)(C)C
InChIKey
InChIKey=GJKXNUBIKCNSPR-UHFFFAOYSA-N
Formula
C12H20INO
Mass
321.202
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
Phenylpropylamines Phenylpropanes Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Organooxygen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Phenylpropylamine - Phenylpropane - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Amine - Organonitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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