4-[bis(fluoranyl)methyl]-2-ethyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-ethyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Openeye Name: 4-(difluoromethyl)-2-ethyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine CAS Name: 4-(difluoromethyl)-2-ethyl-6-(1-piperazin-4-iumyl)pyrazolo[3,4-b]pyridine IUPAC Name: 4-(difluoromethyl)-2-ethyl-6-piperazin-4-ium-1-ylpyrazolo[3,4-b]pyridine Traditional Name: 4-(difluoromethyl)-2-ethyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Formula: C13H18F2N5+ MolecularWeight: 282.312326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

Isomeric SMILES

CCN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

InChI

InChI=1S/C13H17F2N5/c1-2-20-8-10-9(12(14)15)7-11(17-13(10)18-20)19-5-3-16-4-6-19/h7-8,12,16H,2-6H2,1H3/p+1