Compound Identification
SMILES
CC[N+]1(CCCC1(C(S)=O)C1=CC=CC=C1)C(=O)C(=O)C1CCCCC1
InChIKey
InChIKey=AEQBGHYOWGDLBZ-UHFFFAOYSA-O
Formula
C21H28NO3S
Mass
374.52
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
Alpha amino acids and derivatives Pyrrolidine carboxylic acids and derivatives N-acylpyrrolidines Benzene and substituted derivatives N-alkylpyrrolidines Quaternary ammonium salts Pyrroles Ketones Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Alkylthiols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Quaternary ammonium salt - Carbodithioic acid - Carbothioic s-acid - Ketone - Carboxylic acid derivative - Alkylthiol - Azacycle - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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