Compound Identification
SMILES
O=C(OC1CN2CCC1CC2)C1=CC=CS1
InChIKey
InChIKey=NTUODJIVIOUXON-UHFFFAOYSA-N
Formula
C12H15NO2S
Mass
237.32
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
Thiophene carboxylic acids and derivatives Piperidines Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinuclidine - Thiophene carboxylic acid or derivatives - Piperidine - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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