Compound Identification
SMILES
OC(C1CCCCC1)(C1=NOC(C[N+]23CCC(CC2)[C@H](C3)SC2=CC=CC=C2)=N1)C1=CC=CC=C1
InChIKey
InChIKey=YRMCRMFAXJKFGT-WZCNPKLGSA-N
Formula
C29H36N3O2S
Mass
490.69
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 Aralkylamines Alkylarylthioethers Piperidines Benzene and substituted derivatives Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds 1,2,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Quinuclidine - Thiophenol ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Benzenoid - 1,2,4-oxadiazole - Azole - Tetraalkylammonium salt - Heteroaromatic compound - Oxadiazole - Quaternary ammonium salt - Tertiary alcohol - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Alcohol - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic alcohol - Organic cation - 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