Compound Identification
SMILES
[I-].CCOC(=O)C1CSCN1C(=O)[C@]12CC[C@@H](C[C@H]1C1=CN=C(Cl)C=C1)[N+]2(C)CC1=CC=CC=C1
InChIKey
InChIKey=PRJQTMZLYCFXDR-UMEURMDLSA-M
Formula
C26H31ClIN3O3S
Mass
627.97
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
Alpha amino acid esters Alpha amino acid amides Pyrrolidinylpyridines Benzylamines Phenylmethylamines Pyrrolidinecarboxamides Aralkylamines 2-halopyridines Aryl chlorides N-alkylpyrrolidines Tetraalkylammonium salts Heteroaromatic compounds Tertiary carboxylic acid amides Thiazolidines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epibatidine-skeleton - Alpha-amino acid ester - Alpha-amino acid amide - Pyrrolidinylpyridine - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Phenylmethylamine - Pyrrolidine-2-carboxamide - Benzylamine - 2-halopyridine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Aryl halide - N-alkylpyrrolidine - Aryl chloride - Tetraalkylammonium salt - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic zwitterion - Amine - Organic oxide - Organic salt - Carbonyl group - Organic oxygen compound - Organic iodide salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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