Compound Identification
SMILES
COC1=CC=C(CCC(O)(C(=O)N[C@H]2C[N+]3(CCCC#N)CCC2CC3)C2=CC=CO2)C=C1
InChIKey
InChIKey=GUOWHUIJSPIZOZ-VHTXSSKDSA-O
Formula
C26H34N3O4
Mass
452.574
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
Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-acyl amines Piperidines Tetraalkylammonium salts Heteroaromatic compounds Furans Tertiary alcohols Secondary carboxylic acid amides Nitriles Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Anisole - Quinuclidine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Fatty acyl - N-acyl-amine - Fatty amide - Tertiary alcohol - Tetraalkylammonium salt - Quaternary ammonium salt - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Carbonyl group - Cyanide - Organonitrogen compound - Organooxygen compound - 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