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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Pyrrolidinylpyridines Phenylmethylamines Benzylamines 2-halopyridines Aralkylamines Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
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