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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

Isomeric SMILES

CCCN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

InChI

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