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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N5/c1-2-5-22-9-10-11(14(15,16)17)8-12(19-13(10)20-22)21-6-3-18-4-7-21/h8-9,18H,2-7H2,1H3/p+1