N-(2,5-dimethoxyphenyl)-5-[4-oxidanyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-5-[4-oxidanyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-5-[4-hydroxy-1-(2-pyridylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-5-[4-hydroxy-1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-5-[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-5-[4-hydroxy-1-(2-pyridylmethyl)piperidin-1-ium-4-yl]coumarilamide Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CC=N5)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CC=N5)O

InChI

InChI=1S/C28H29N3O5/c1-34-22-7-9-25(35-2)23(17-22)30-27(32)26-16-19-15-20(6-8-24(19)36-26)28(33)10-13-31(14-11-28)18-21-5-3-4-12-29-21/h3-9,12,15-17,33H,10-11,13-14,18H2,1-2H3,(H,30,32)/p+1