Structure Information
Structure

Compound Identification

SMILES

O[C@H](COC1=CC=CC=C1F)CN1CC[NH+](CC2=CSC3=CC=CC=C23)CC1

InChIKey

InChIKey=PKEMZCLTVPLYPO-SFHVURJKSA-O

Formula

C22H26FN2O2S

Mass

401.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Heteroaromatic compounds Thiophenes Quaternary ammonium salts 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Thiophene - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Alcohol - Organohalogen compound - Organofluoride - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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