Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC(\C=C(\C)[N+]([O-])=O)=C(OC)C=C1

InChIKey

InChIKey=FPTRXGQDBSOQMW-GXTSIBQPSA-M

Formula

C25H43ClN2O3

Mass

455.08

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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 chlorides

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyldimethylbenzylammonium chloride - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. 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 chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain.

External Descriptors

Not available

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