Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.COC1=CC2=C(CCC3=C(C=CC=N3)C2OCC[NH+](C)C)C=C1
InChIKey
InChIKey=WEWDGPMTILIINW-BTJKTKAUSA-N
Formula
C23H28N2O6
Mass
428.485
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
Anisoles Alkyl aryl ethers Unsaturated fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Carboxylic acid salts Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Benzocycloheptapyridine - Anisole - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Dialkyl ether - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors
Not available