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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-[1-(2-fluorobenzyl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C28H26FN2O5+ MolecularWeight: 489.514843

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)O)CC6=CC=CC=C6F

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)O)CC6=CC=CC=C6F

InChI

InChI=1S/C28H25FN2O5/c29-22-4-2-1-3-18(22)16-31-11-9-28(33,10-12-31)20-5-7-23-19(13-20)14-26(36-23)27(32)30-21-6-8-24-25(15-21)35-17-34-24/h1-8,13-15,33H,9-12,16-17H2,(H,30,32)/p+1