4-oxidanylidene-5-phenylmethoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyridine-2-carboxamide

Systemtic Name: 4-oxidanylidene-5-phenylmethoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyridine-2-carboxamide Openeye Name: 5-benzyloxy-N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-1H-pyridine-2-carboxamide CAS Name: 4-oxo-5-phenylmethoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-pyridine-2-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide Traditional Name: 5-benzoxy-N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-1H-pyridine-2-carboxamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=O)C(=CN2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=O)C(=CN2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c29-23-15-22(26-16-24(23)31-18-20-9-5-2-6-10-20)25(30)27-21-11-13-28(14-12-21)17-19-7-3-1-4-8-19/h1-10,15-16,21H,11-14,17-18H2,(H,26,29)(H,27,30)/p+1