Compound Identification
SMILES
[Br-].[NH3+]C1=NN=C(CS1)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=XLZOCDLOGNXKTD-UHFFFAOYSA-N
Formula
C13H20BrN3S
Mass
330.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Quaternary ammonium salts
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Quaternary ammonium salts
Alternative Parents
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Quaternary ammonium salt - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.
External Descriptors
Not available