Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)C[C@H](O)CN1C(=O)c2ccccc2NS1(=O)=O

InChIKey

InChIKey=JDQZSJXOOOTCMD-SNVBAGLBSA-O

Formula

C13H20N3O4S

Mass

314.38

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Choline - Benzenoid - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - Vinylogous amide - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Amine - Organic cation - Aromatic heteropolycyclic 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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