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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
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
Benzothiazoles Alkyl aryl ethers Benzenoids Para dioxins Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Amino acids and derivatives Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
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