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

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-piperonyl-piperidin-1-ium-4-yl)-N-(3-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=CN=CC=C4)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC5=CC6=C(C=C5)OCO6

InChI

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