5-[1-[(3-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(3-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(3-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(3-fluorobenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)coumarilamide Formula: C28H28FN2O4+ MolecularWeight: 475.531323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC(=CC=C5)F)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC(=CC=C5)F)O

InChI

InChI=1S/C28H27FN2O4/c1-34-25-8-3-2-7-23(25)30-27(32)26-17-20-16-21(9-10-24(20)35-26)28(33)11-13-31(14-12-28)18-19-5-4-6-22(29)15-19/h2-10,15-17,33H,11-14,18H2,1H3,(H,30,32)/p+1