Compound Identification
SMILES
[I-].C[N+]1(C)CC[C@@H](C1)OC(=O)[C@@](O)(C1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=MDXIQDYNAVSOAZ-QQTWVUFVSA-M
Formula
C19H28INO3
Mass
445.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
N-alkylpyrrolidines Tetraalkylammonium salts Tertiary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - Quaternary ammonium salt - Tetraalkylammonium salt - Tertiary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic iodide salt - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Alcohol - Organic salt - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available