Compound Identification
SMILES
[O-]\C(C[N+]12CCC(CC1)[C@H](C2)OC(=O)C1(CCCCCC1)C1=CC=CC=C1)=N/C1=CN=CC(Cl)=N1
InChIKey
InChIKey=UAKHSOXXONMRBZ-NIDBXZNWSA-N
Formula
C27H33ClN4O3
Mass
497.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Pyrazines Piperidines Aryl chlorides Benzene and substituted derivatives Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinuclidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrazine - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Carbonyl group - Amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available