Compound Identification
SMILES
O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCSC3=CC=CC=C3)CCC1CC2)C1=CC=CC=C1
InChIKey
InChIKey=VFXSHQSACUDCTE-JIHLYRJHSA-N
Formula
C29H38NO3S
Mass
480.69
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 Alkylarylthioethers Piperidines Benzene and substituted derivatives Tetraalkylammonium salts Tertiary alcohols Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Amines Hydrocarbon derivatives Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Quinuclidine - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Benzenoid - Quaternary ammonium salt - Tertiary alcohol - Tetraalkylammonium salt - Carboxylic acid ester - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Aromatic alcohol - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - 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