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Structure Information
Structure

Compound Identification

SMILES

[I-].CCC(C1=CC(O)=CC=C1)[N+](C)(C)C

InChIKey

InChIKey=GJKXNUBIKCNSPR-UHFFFAOYSA-N

Formula

C12H20INO

Mass

321.202

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Alkyldimethylbenzylammonium halides

Intermediate Tree Nodes

Not available

Direct Parent

Alkyldimethylbenzylammonium halides

Alternative Parents

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

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