Structure Information
Structure

Compound Identification

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C1=CC=C(Cl)C=C1)C(=O)OCCC1=CC=C(C=C1)N=C=S

InChIKey

InChIKey=OYLQZZGIZCVNHU-AFXVXQJMSA-N

Formula

C24H25ClN2O2S

Mass

440.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Tropane alkaloids

Subclass

Phenyltropanes

Intermediate Tree Nodes

Not available

Direct Parent

Phenyltropanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Isothiocyanate - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.

External Descriptors

Not available

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