Compound Identification
SMILES
CCC(CC(C)(C)C(=O)OCC[N+](C)(C)C)N1CCCC1=O
InChIKey
InChIKey=BWXZDOKLIWCRDX-UHFFFAOYSA-N
Formula
C17H33N2O3
Mass
313.461
Taxonomic Classification
Taxonomy Tree
-
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 Acyl cholines
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Level 5
Cholines
-
Subclass
Quaternary ammonium salts
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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
Acyl cholines
Alternative Parents
Fatty acid esters Pyrrolidine-2-ones N-alkylpyrrolidines Tetraalkylammonium salts Tertiary carboxylic acid amides Tertiary amines Lactams Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acyl choline - Fatty acid ester - Fatty acyl - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
External Descriptors
Not available