Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(C\C=C\C3=CC=CC=C3)CCC1CC2)C1=CC=CS1
InChIKey
InChIKey=AXHMHMJMTXVFOI-UIRCIBBXSA-M
Formula
C29H34F3NO5S
Mass
565.65
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
Styrenes Piperidines Thiophenes Tetraalkylammonium salts Tertiary alcohols Alpha-halocarboxylic acids Heteroaromatic compounds Carboxylic acid esters Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Aromatic alcohols Amines Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Quinuclidine - Styrene - Monocyclic benzene moiety - Piperidine - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen 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