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

Systemtic Name: N-(3,4-dimethoxyphenyl)-5-[4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)-N-(3,4-dimethoxyphenyl)benzofuran-2-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-5-[4-hydroxy-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: 5-(1-benzyl-4-hydroxypiperidin-1-ium-4-yl)-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)-N-(3,4-dimethoxyphenyl)coumarilamide Formula: C29H31N2O5+ MolecularWeight: 487.56684

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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=CC=C5)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=CC=C5)O)OC

InChI

InChI=1S/C29H30N2O5/c1-34-25-11-9-23(18-26(25)35-2)30-28(32)27-17-21-16-22(8-10-24(21)36-27)29(33)12-14-31(15-13-29)19-20-6-4-3-5-7-20/h3-11,16-18,33H,12-15,19H2,1-2H3,(H,30,32)/p+1