Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)[C@H]1[C@H]2CC[C@@H]([C@@H]1C1=CN=C(Cl)C=C1)N2CC1=CC=CC=C1

InChIKey

InChIKey=MCYUXYLYXIMAJU-MVJTYMMSSA-N

Formula

C18H18ClN3O2

Mass

343.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Epibatidine analogues

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Epibatidine analogues

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epibatidine-skeleton - Pyrrolidinylpyridine - Phenylmethylamine - Benzylamine - Aralkylamine - 2-halopyridine - N-alkylpyrrolidine - Aryl halide - Pyridine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Organic nitro compound - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Amine - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.

External Descriptors

Not available

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