Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCSC3=CC=CC=C3)CCC1CC2)C1=CC=CC=C1

InChIKey

InChIKey=AMAYDTSCJLKTQX-XXPJZDDYSA-M

Formula

C31H38F3NO5S

Mass

593.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Quinuclidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Quinuclidines

Alternative Parents

Molecular Framework

Not available

Substituents

Aryl thioether - Quinuclidine - Thiophenol ether - Alkylarylthioether - Piperidine - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Quaternary ammonium salt - Alpha-halocarboxylic acid or derivatives - Tertiary alcohol - Tetraalkylammonium salt - Carboxylic acid salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Carboxylic acid - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.

External Descriptors

Not available

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