Compound Identification
SMILES
CS([O-])(=O)=O.COC1=C(OC)C=C2C(CC3=CC4=C(OCO4)C=C3)=C[NH+]=CC2=C1
InChIKey
InChIKey=GDLKKPBIESAWHJ-UHFFFAOYSA-N
Formula
C20H21NO7S
Mass
419.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Benzodioxoles Anisoles Alkyl aryl ethers Pyridinium derivatives Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Acetal - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available