Structure Information
Structure

Compound Identification

SMILES

OCC[N+]1=CC=C(C=C1)C(\CS([O-])(=O)=O)=C/C1=CC=CC=C1

InChIKey

InChIKey=HFBARPFDICHIIW-VBKFSLOCSA-N

Formula

C16H17NO4S

Mass

319.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Pyridinium derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyridinium derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Monocyclic benzene moiety - Pyridinium - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Alkanolamine - Azacycle - Alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.

External Descriptors

Not available

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