Compound Identification
SMILES
CCCCCCCCCCCCCCCCOCC(C)CC(COP(O)(O)=S)[N+](C)(C)C
InChIKey
InChIKey=NJTWDVZPMVOBCI-UHFFFAOYSA-O
Formula
C25H55NO4PS
Mass
496.75
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
Thiophosphate monoesters Tetraalkylammonium salts Dialkyl ethers Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Organic thiophosphoric acid or derivatives - Thiophosphate monoester - Thiophosphoric acid ester - Tetraalkylammonium salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic cation - Aliphatic acyclic 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