Compound Identification
SMILES
CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
InChIKey
InChIKey=OEXHQOGQTVQTAT-JRNQLAHRSA-N
Formula
C20H30NO3
Mass
332.463
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropane alkaloids
Alternative Parents
Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Amines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organopnictogen compounds Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic salt - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors
CHEBI:5956 : quaternary ammonium ion - propanoate ester - tropane alkaloid