Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C([O-])=O.COC1=CC(N)=C(Cl)C=C1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1

InChIKey

InChIKey=BCVIWCRZYPHHMQ-WLHGVMLRSA-N

Formula

C24H28ClN3O6

Mass

489.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Piperidines

Subclass

Benzylpiperidines

Intermediate Tree Nodes

Not available

Direct Parent

N-benzylpiperidines

Alternative Parents

3-halobenzoic acids and derivatives Aminobenzamides Aminophenyl ethers Benzamides Methoxyanilines Anisoles Phenylmethylamines Phenoxy compounds Benzoyl derivatives Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Carboxylic acid salts Amino acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Primary amines

Molecular Framework

Not available

Substituents

N-benzylpiperidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid or derivatives - Methoxyaniline - Benzamide - Aniline or substituted anilines - Phenol ether - Benzoyl - Benzylamine - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Anisole - Aralkylamine - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Quaternary ammonium salt - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Primary amine - Aromatic heteromonocyclic 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

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