Compound Identification
SMILES
[Br-].C[N+]1(C)CCCC1OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=DQMMSGMHLCPIAB-UHFFFAOYSA-M
Formula
C19H28BrNO3
Mass
398.341
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 bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic bromide salt - Organic zwitterion - Organic salt - Carbonyl group - 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