Compound Identification
SMILES
C[N+](C)(C)CCOP([S-])(=S)C1=CC=CC=C1
InChIKey
InChIKey=XUMIQPOJIWTBDC-UHFFFAOYSA-N
Formula
C11H18NOPS2
Mass
275.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
- Level 5 Cholines
-
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
Cholines
Alternative Parents
Benzene and substituted derivatives Tetraalkylammonium salts Organothiophosphorus compounds Organooxygen compounds Organic salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Choline - Benzenoid - Monocyclic benzene moiety - Tetraalkylammonium salt - Organothiophosphorus compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organooxygen compound - Amine - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors
Not available