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CAS 954371-52-9

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Pyridinium, 4-[[2-(4-benzofuranyl)acetyl]amino]-2-bromo-1-(3-phenylpropyl)-, bromide (1:1)

Description:
Pyridinium, 4-[[2-(4-benzofuranyl)acetyl]amino]-2-bromo-1-(3-phenylpropyl)-, bromide (1:1) is a complex organic compound characterized by its pyridinium structure, which includes a positively charged nitrogen atom within a six-membered aromatic ring. This compound features a bromide counterion, indicating its ionic nature. The presence of a benzofuranyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with benzofuran derivatives. The acetylamino group contributes to its reactivity and solubility properties, while the bromo and phenylpropyl substituents may influence its pharmacokinetics and interaction with biological targets. The molecular structure indicates potential for various intermolecular interactions, such as hydrogen bonding and π-π stacking, which can affect its stability and behavior in solution. Overall, this compound's unique structural features make it a subject of interest for further research in chemical and biological applications.
Formula:C24H22BrN2O2·Br
InChI:InChI=1S/C24H21BrN2O2.BrH/c25-23-17-20(11-14-27(23)13-5-8-18-6-2-1-3-7-18)26-24(28)16-19-9-4-10-22-21(19)12-15-29-22;/h1-4,6-7,9-12,14-15,17H,5,8,13,16H2;1H
InChI key:InChIKey=OONLXNFYGYMTLC-UHFFFAOYSA-N
SMILES:C(C(NC=1C=C(Br)[N+](CCCC2=CC=CC=C2)=CC1)=O)C3=C4C(=CC=C3)OC=C4.[Br-]
Synonyms:
  • Pyridinium, 4-[[2-(4-benzofuranyl)acetyl]amino]-2-bromo-1-(3-phenylpropyl)-, bromide (1:1)
  • CH 0076989
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