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

Systemtic Name: 2-methyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Openeye Name: 2-methyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine CAS Name: 2-methyl-6-(1-piperazin-4-iumyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine IUPAC Name: 2-methyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Traditional Name: 2-methyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Formula: C12H15F3N5+ MolecularWeight: 286.27621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C12H14F3N5/c1-19-7-8-9(12(13,14)15)6-10(17-11(8)18-19)20-4-2-16-3-5-20/h6-7,16H,2-5H2,1H3/p+1