Compound Identification
SMILES
[I-].CC[C@]1(O)[C@@H](CCC2=CC=CC=C12)[C@H](C1=CC=CC=C1)[N+](C)(C)C
InChIKey
InChIKey=SJXOATSGFWAEMY-DGOYXABZSA-M
Formula
C22H30INO
Mass
451.392
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Alkyldimethylbenzylammonium halides
Intermediate Tree Nodes
Not available
Direct Parent
Alkyldimethylbenzylammonium halides
Alternative Parents
Tetralins Aralkylamines Tetraalkylammonium salts Tertiary alcohols Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alkyldimethylbenzylammonium halide - Tetralin - Aralkylamine - Quaternary ammonium salt - Tertiary alcohol - Tetraalkylammonium salt - Alcohol - Organic iodide salt - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium halides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a halogen ion and have the general structure R1[N+](CH3)(CH3)R2.[X-], where R1 = benzyl group, R2 = alkyl chain, and X = halogen atom.
External Descriptors
Not available