Compound Identification
SMILES
[Br-].CC(C)C1=CC=C(C[N+]2(C)[C@H]3CC[C@@H]2CC(C3)OC(=O)C(CO)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=OCPLIQOPHCXUAD-QFZSKBIGSA-M
Formula
C27H36BrNO3
Mass
502.493
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Aromatic monoterpenoids Bicyclic monoterpenoids Tropane alkaloids Phenylpropanes Cumenes Benzylamines Phenylmethylamines Beta hydroxy acids and derivatives Aralkylamines N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylpiperidine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Cumene - Phenylpropane - Tropane alkaloid - Benzylamine - Phenylmethylamine - Beta-hydroxy acid - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - N-alkylpyrrolidine - Quaternary ammonium salt - Pyrrolidine - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Carbonyl group - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available