N-(3,4-dimethoxyphenyl)-5-[1-(furan-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-5-[1-(furan-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-5-[1-(2-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-5-[1-(2-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-5-[1-(furan-2-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-5-[1-(2-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C27H29N2O6+ MolecularWeight: 477.52896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CO5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CO5)O)OC

InChI

InChI=1S/C27H28N2O6/c1-32-23-8-6-20(16-24(23)33-2)28-26(30)25-15-18-14-19(5-7-22(18)35-25)27(31)9-11-29(12-10-27)17-21-4-3-13-34-21/h3-8,13-16,31H,9-12,17H2,1-2H3,(H,28,30)/p+1