2-[4-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H31N6O2S+ MolecularWeight: 467.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C24H30N6O2S/c1-2-30-23-19(16-25-30)18(15-20(26-23)21-7-6-14-33-21)24(32)29-12-10-27(11-13-29)17-22(31)28-8-4-3-5-9-28/h6-7,14-16H,2-5,8-13,17H2,1H3/p+1