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

Systemtic Name: 6-piperazin-4-ium-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Openeye Name: 2-isopropyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine CAS Name: 6-(1-piperazin-4-iumyl)-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine IUPAC Name: 6-piperazin-4-ium-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Traditional Name: 2-isopropyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine Formula: C14H19F3N5+ MolecularWeight: 314.32937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC(C)N1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C14H18F3N5/c1-9(2)22-8-10-11(14(15,16)17)7-12(19-13(10)20-22)21-5-3-18-4-6-21/h7-9,18H,3-6H2,1-2H3/p+1