Structure Information
Structure

Compound Identification

SMILES

C[NH+](C)CCN(C(=O)[C@@H]1COC2=CC=CC=C2O1)C1=NC2=C(C)C=C(C)C=C2S1

InChIKey

InChIKey=QKLLJECTIYCPLW-SFHVURJKSA-O

Formula

C22H26N3O3S

Mass

412.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,4-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,4-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - 1,3-benzothiazole - Alkyl aryl ether - Benzenoid - Para-dioxin - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.

External Descriptors

Not available

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