Compound Identification
SMILES
OC1CNCC2=C1N=C(S2)C1=C(C=C(C=C1)N1CCCC1)[N+]([O-])=O
InChIKey
InChIKey=WNXZUADZYROMNZ-UHFFFAOYSA-N
Formula
C16H18N4O3S
Mass
346.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aralkylamines Thiazoles Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrrole - Thiazole - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Azacycle - Secondary aliphatic amine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organooxygen compound - Organic salt - Organic oxygen compound - Amine - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available