Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GWKCOEMKRSBYAA-UHFFFAOYSA-M

Formula

C13H31NO7S

Mass

345.45

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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

Sulfuric acid monoesters Alkyl sulfates Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Choline - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - 1,2-aminoalcohol - Secondary alcohol - Amine - Alcohol - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - 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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