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

Systemtic Name: 5-[1-[(2-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2-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=C5F)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CC=C5F)O

InChI

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