1,3-dimethyl-6-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3-dimethyl-6-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1,3-dimethyl-6-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H30N5O+ MolecularWeight: 440.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H29N5O/c1-19-25-23(17-24(21-11-7-4-8-12-21)29-26(25)31(2)30-19)27(33)28-22-13-15-32(16-14-22)18-20-9-5-3-6-10-20/h3-12,17,22H,13-16,18H2,1-2H3,(H,28,33)/p+1