Structure Information
Structure

Compound Identification

SMILES

CCN(CCCS([O-])(=O)=O)C1=CC2=C(C=C1)N=C1C=CC(C=C1O2)=[N+](C)CCC(O)=O

InChIKey

InChIKey=RCTKCVWZEGPPCK-UHFFFAOYSA-N

Formula

C21H25N3O6S

Mass

447.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazines

Subclass

Phenoxazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.

External Descriptors

CHEBI:52074 : iminium betaine

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