Compound Identification
SMILES
O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(C\C=C\C3=CC=CC=C3)CCC1CC2)C1=CC=CS1
InChIKey
InChIKey=IOWVUZUNEJHVTR-ABTOUABYSA-N
Formula
C27H34NO3S
Mass
452.63
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 Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinuclidine - Styrene - Monocyclic benzene moiety - Piperidine - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Heteroaromatic compound - Tertiary alcohol - Thiophene - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen 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