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

Systemtic Name: 4-oxidanylidene-5-phenylmethoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyran-2-carboxamide Openeye Name: 5-benzyloxy-N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-pyran-2-carboxamide CAS Name: 4-oxo-5-phenylmethoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrancarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide Traditional Name: 5-benzoxy-N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-pyran-2-carboxamide Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=O)C(=CO2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=O)C(=CO2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c28-22-15-23(31-18-24(22)30-17-20-9-5-2-6-10-20)25(29)26-21-11-13-27(14-12-21)16-19-7-3-1-4-8-19/h1-10,15,18,21H,11-14,16-17H2,(H,26,29)/p+1