Compound Identification
SMILES
Br.C=CCO[C@@H]([C@@H]1C[C@@H]2CC[N+]1(Cc1ccccc1)C[C@@H]2C=C)c1ccnc2ccccc12
InChIKey
InChIKey=PMBXATROGBSNCU-PCOYAJJYSA-N
Formula
C29H34BrN2O
Mass
506.507
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Cinchona alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cinchona alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinchona alkaloids
Alternative Parents
N-benzylpiperidines Quinolines and derivatives Quinuclidines Phenylmethylamines Benzylamines Aralkylamines Pyridines and derivatives Tetraalkylammonium salts Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - N-benzylpiperidine - Benzylpiperidine - Quinoline - Benzylamine - Phenylmethylamine - Quinuclidine - Aralkylamine - Piperidine - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tetraalkylammonium salt - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available