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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazines
- Subclass Phenoxazines
-
Class
Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Phenoxazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxazines
Alternative Parents
Dialkylarylamines Benzenoids Sulfonyls Secondary ketimines Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Amino acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
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