Structure Information
Structure

Compound Identification

SMILES

[Br-].CC[N+](CC)(CC)CCO.CCCCCCCCCCCCNC([O-])=O

InChIKey

InChIKey=LWMWLADQQWRDNI-UHFFFAOYSA-L

Formula

C21H46BrN2O3

Mass

454.515

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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

Tetraalkylammonium salts Carbamic acids 1,2-aminoalcohols Primary alcohols Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations

Molecular Framework

Not available

Substituents

Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Carbamic acid - Carbamic acid derivative - Alkanolamine - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organic salt - Carbonyl group - Organic bromide salt - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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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