2-(4-phenethylpiperidin-1-ium-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanamide

Systemtic Name: 2-(4-phenethylpiperidin-1-ium-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanamide Openeye Name: 2-(4-phenethylpiperidin-1-ium-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide CAS Name: 2-(4-phenethyl-1-piperidin-1-iumyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide IUPAC Name: 2-(4-phenethylpiperidin-1-ium-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide Traditional Name: 2-(4-phenethylpiperidin-1-ium-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CC(=O)NC3=C4C=CC=NC4=NN3

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CC(=O)NC3=C4C=CC=NC4=NN3

InChI

InChI=1S/C21H25N5O/c27-19(23-21-18-7-4-12-22-20(18)24-25-21)15-26-13-10-17(11-14-26)9-8-16-5-2-1-3-6-16/h1-7,12,17H,8-11,13-15H2,(H2,22,23,24,25,27)/p+1