1,3-dimethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium

Systemtic Name: 1,3-dimethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium Openeye Name: 1,3-dimethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium CAS Name: 1,3-dimethyl-6-(1-piperazin-4-iumyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium IUPAC Name: 1,3-dimethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium Traditional Name: 1,3-dimethyl-6-piperazin-4-ium-1-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium Formula: C13H18F3N5+2 MolecularWeight: 301.31073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=NC2=[N+](N1)C)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC(=NC2=[N+](N1)C)N3CC[NH2+]CC3)C(F)(F)F

InChI

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