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
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
Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Piperidines Thiophenes Tetraalkylammonium salts Tertiary alcohols Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Aromatic alcohols Amines Hydrocarbon derivatives Alkyl fluorides Organic oxides Organic zwitterions Organofluorides
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