2-[4-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H29N6O2+ MolecularWeight: 433.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C24H28N6O2/c31-22(28-8-4-5-9-28)18-27-10-12-29(13-11-27)24(32)21-14-20-16-26-30(23(20)25-15-21)17-19-6-2-1-3-7-19/h1-3,6-7,14-16H,4-5,8-13,17-18H2/p+1