Compound Identification
SMILES
CC(C)C1=CC=CC(C(C)C)=C1OC(=O)CCOP(O)(=O)OCC[N+](C)(C)C
InChIKey
InChIKey=LHFXMVNQIHRHIM-UHFFFAOYSA-O
Formula
C20H35NO6P
Mass
416.474
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
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Level 5
Cholines
- Level 6 Phosphocholines
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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
Cholines
Direct Parent
Phosphocholines
Alternative Parents
Phenol esters Phenylpropanes Cumenes Phenoxy compounds Dialkyl phosphates Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phosphocholine - Phenol ester - Cumene - Phenylpropane - Phenoxy compound - Dialkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Benzenoid - Alkyl phosphate - Phosphoric acid ester - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
External Descriptors
Not available