Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.OC1=CC(OCCC[N+]23CCC(CC2)[C@H](C3)NC(=O)C(O)(C2=CC=CS2)C2=CC=CS2)=CC=C1

InChIKey

InChIKey=NEJIORLSCLGYLQ-VLJFIYOESA-N

Formula

C28H31F3N2O6S2

Mass

612.68

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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

Phenoxy compound - Phenol ether - Quinuclidine - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Alpha-halocarboxylic acid - Thiophene - Tertiary alcohol - Tetraalkylammonium salt - Quaternary ammonium salt - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Amine - Organic nitrogen compound - Aromatic alcohol - Alkyl halide - Organic zwitterion - 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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