Structure Information
Structure

Compound Identification

SMILES

[I-].C[N+]1(C)CC[C@@H](CC(=O)[C@@](O)(C2CCCC2)C2=CSC=C2)C1

InChIKey

InChIKey=YPRPLWMTJSPWPG-QLOBERJESA-M

Formula

C18H28INO2S

Mass

449.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones

Direct Parent

Gamma-amino ketones

Alternative Parents

N-alkylpyrrolidines Acyloins Thiophenes Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Azacyclic compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Aromatic alcohols Amines

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acyloin - Gamma-aminoketone - N-alkylpyrrolidine - Alpha-hydroxy ketone - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Thiophene - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Organic iodide salt - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gamma-amino ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the C4 carbon atom.

External Descriptors

Not available

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