Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C([O-])=O.CC(C)(C)C(=O)C(O)C[N+](C)(C)C

InChIKey

InChIKey=CMEMNBLLUXKHRO-UHFFFAOYSA-M

Formula

C15H31NO4

Mass

289.416

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Quaternary ammonium salts

Intermediate Tree Nodes

Not available

Direct Parent

Cholines

Alternative Parents

Beta-amino ketones Acyloins Tetraalkylammonium salts Alpha-hydroxy ketones Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Amines

Molecular Framework

Not available

Substituents

Choline - Acyloin - Beta-aminoketone - Tetraalkylammonium salt - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Carbonyl group - Alcohol - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - 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

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