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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Thiophenol ethers Alkylarylthioethers Piperidines Benzene and substituted derivatives Tetraalkylammonium salts Tertiary alcohols Alpha-halocarboxylic acids Carboxylic acid esters Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic zwitterions Alkyl fluorides Aromatic alcohols Organic oxides Organofluorides Amines Hydrocarbon derivatives
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