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

Systemtic Name: 2-ethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Openeye Name: 2-ethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine CAS Name: 2-ethyl-6-(1-piperazin-4-iumyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine IUPAC Name: 2-ethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Traditional Name: 2-ethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Formula: C13H17F3N5+ MolecularWeight: 300.30279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N5/c1-2-21-8-9-10(13(14,15)16)7-11(18-12(9)19-21)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3/p+1