Structure Information
Structure

Compound Identification

SMILES

Br.CC[N+](CC)(CC)CCO.[O-]C(=O)NCCC1=CC=CC=C1

InChIKey

InChIKey=REHJPUGZCPGDED-UHFFFAOYSA-M

Formula

C17H31BrN2O3

Mass

391.35

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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

Benzene and substituted derivatives Tetraalkylammonium salts Carbamic acids 1,2-aminoalcohols Primary alcohols Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds Organic cations

Molecular Framework

Not available

Substituents

Choline - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Carbamic acid derivative - Carbamic acid - 1,2-aminoalcohol - Alkanolamine - Hydrocarbon derivative - Hydrobromide - Alcohol - Primary alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organic cation - Aromatic homomonocyclic 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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