ethyl 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]piperidine-4-carboxylate CAS Name: 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]piperidine-4-carboxylate Traditional Name: 1-[3-methyl-1-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-1-ium-6-yl]isonipecotic acid ethyl ester Formula: C22H24F3N4O2+ MolecularWeight: 433.44677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=[N+](NC(=C3C(=C2)C(F)(F)F)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=[N+](NC(=C3C(=C2)C(F)(F)F)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23F3N4O2/c1-3-31-21(30)15-9-11-28(12-10-15)18-13-17(22(23,24)25)19-14(2)27-29(20(19)26-18)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3/p+1