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

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-piperonyl-piperidin-1-ium-4-yl)-N-(2-pyridylmethyl)coumarilamide Formula: C28H28N3O5+ MolecularWeight: 486.53902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N3O5/c32-27(30-16-22-3-1-2-10-29-22)26-15-20-14-21(5-7-23(20)36-26)28(33)8-11-31(12-9-28)17-19-4-6-24-25(13-19)35-18-34-24/h1-7,10,13-15,33H,8-9,11-12,16-18H2,(H,30,32)/p+1