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

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-butyl-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Openeye Name: 2-butyl-4-(difluoromethyl)-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine CAS Name: 2-butyl-4-(difluoromethyl)-3-methyl-6-(1-piperazin-4-iumyl)pyrazolo[3,4-b]pyridine IUPAC Name: 2-butyl-4-(difluoromethyl)-3-methyl-6-piperazin-4-ium-1-ylpyrazolo[3,4-b]pyridine Traditional Name: 2-butyl-4-(difluoromethyl)-3-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Formula: C16H24F2N5+ MolecularWeight: 324.392066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F)C

Isomeric SMILES

CCCCN1C(=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F)C

InChI

InChI=1S/C16H23F2N5/c1-3-4-7-23-11(2)14-12(15(17)18)10-13(20-16(14)21-23)22-8-5-19-6-9-22/h10,15,19H,3-9H2,1-2H3/p+1