Structure Information
Structure

Compound Identification

SMILES

OC(C1C[N+]2(CC3=CC=CC=C3[N+]([O-])=O)CCC1CC2)(C1=CC=CS1)C1=CC=CS1

InChIKey

InChIKey=BWKWVFKCAVGFRY-UHFFFAOYSA-N

Formula

C23H25N2O3S2

Mass

441.58

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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

Nitrobenzenes Benzylamines Nitroaromatic compounds Phenylmethylamines Quinuclidines Aralkylamines Thiophenes Heteroaromatic compounds 1,3-aminoalcohols Tertiary alcohols Tetraalkylammonium salts Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-benzylpiperidine - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Quinuclidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Tertiary alcohol - Thiophene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic salt - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic alcohol - Organic cation - 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

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