N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-1-ium-1-yl-pentanamide bromide

Systemtic Name: N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-1-ium-1-yl-pentanamide bromide Openeye Name: N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-1-ium-1-yl-pentanamide bromide CAS Name: N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(1-pyridin-1-iumyl)pentanamide bromide IUPAC Name: N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-1-ium-1-ylpentanamide bromide Traditional Name: N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-1-ium-1-yl-valeramide bromide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(NN=C3N=C2)NC(=O)CCCC[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(NN=C3N=C2)NC(=O)CCCC[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H21N5O.BrH/c28-20(11-5-8-14-27-12-6-2-7-13-27)24-22-19-15-18(16-23-21(19)25-26-22)17-9-3-1-4-10-17;/h1-4,6-7,9-10,12-13,15-16H,5,8,11,14H2,(H-,23,24,25,26,28);1H