Compound Identification
SMILES
[I-].COC1=CC=CC(C[N+](C)(C)C)=C1OC
InChIKey
InChIKey=QCBOKYMCNBFLID-UHFFFAOYSA-M
Formula
C12H20INO2
Mass
337.201
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
Dimethoxybenzenes Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Organopnictogen compounds Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Methoxybenzene - Phenylmethylamine - Phenol ether - Benzylamine - Anisole - Aralkylamine - Alkyl aryl ether - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen 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