Compound Identification
SMILES
CCOC(=O)N1CC[NH+](CC2=C(SC3=CC=CC(F)=C23)C(=O)OCC)CC1
InChIKey
InChIKey=XAFVZRKSDVJKKF-UHFFFAOYSA-O
Formula
C19H24FN2O4S
Mass
395.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
- Subclass Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Piperazine carboxylic acids and derivatives
Direct Parent
Piperazine carboxylic acids
Alternative Parents
1-benzothiophenes Thiophene carboxylic acids and derivatives Aralkylamines N-alkylpiperazines Aryl fluorides Benzenoids Quaternary ammonium salts Carbamate esters Heteroaromatic compounds Carboxylic acid esters Trialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Piperazine-1-carboxylic acid - Thiophene carboxylic acid or derivatives - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Carbamic acid ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
External Descriptors
Not available