5-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-vanillyl-piperidin-1-ium-4-yl)-N-isobutyl-coumarilamide Formula: C26H33N2O5+ MolecularWeight: 453.55062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C26H32N2O5/c1-17(2)15-27-25(30)24-14-19-13-20(5-7-22(19)33-24)26(31)8-10-28(11-9-26)16-18-4-6-21(29)23(12-18)32-3/h4-7,12-14,17,29,31H,8-11,15-16H2,1-3H3,(H,27,30)/p+1