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

Systemtic Name: 5-[1-[(2-methoxyphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-o-anisyl-piperidin-1-ium-4-yl)-N-isobutyl-coumarilamide Formula: C26H33N2O4+ MolecularWeight: 437.55122

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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=CC=C4OC)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC=CC=C4OC)O

InChI

InChI=1S/C26H32N2O4/c1-18(2)16-27-25(29)24-15-20-14-21(8-9-23(20)32-24)26(30)10-12-28(13-11-26)17-19-6-4-5-7-22(19)31-3/h4-9,14-15,18,30H,10-13,16-17H2,1-3H3,(H,27,29)/p+1