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

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-ethyl-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Openeye Name: 4-(difluoromethyl)-2-ethyl-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine CAS Name: 4-(difluoromethyl)-2-ethyl-3-methyl-6-(1-piperazin-4-iumyl)pyrazolo[3,4-b]pyridine IUPAC Name: 4-(difluoromethyl)-2-ethyl-3-methyl-6-piperazin-4-ium-1-ylpyrazolo[3,4-b]pyridine Traditional Name: 4-(difluoromethyl)-2-ethyl-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Formula: C14H20F2N5+ MolecularWeight: 296.338906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19F2N5/c1-3-21-9(2)12-10(13(15)16)8-11(18-14(12)19-21)20-6-4-17-5-7-20/h8,13,17H,3-7H2,1-2H3/p+1