[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-methyl-1-(2-pyridinyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C24H24N7O3+ MolecularWeight: 458.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=N5

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=N5

InChI

InChI=1S/C24H23N7O3/c1-17-19-14-18(15-27-23(19)31(28-17)21-7-3-5-9-26-21)24(33)34-16-22(32)30-12-10-29(11-13-30)20-6-2-4-8-25-20/h2-9,14-15H,10-13,16H2,1H3/p+1