Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Cinchona alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinchona alkaloids

Alternative Parents

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

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