Compound Identification
SMILES
[Br-].OC(C1CCCCC1)(C(=O)OC1CC[N+]2(CCCC2)C1)C1=CC=CC=C1
InChIKey
InChIKey=RRAWTNGQFLJCPN-UHFFFAOYSA-M
Formula
C22H32BrNO3
Mass
438.406
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 bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines
Molecular Framework
Aromatic heteropolycyclic 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 bromide 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 heteropolycyclic 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