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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(3-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(3-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(3-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]-N-piperonyl-coumarilamide Formula: C27H27N2O6+ MolecularWeight: 475.51308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O)CC6=COC=C6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O)CC6=COC=C6

InChI

InChI=1S/C27H26N2O6/c30-26(28-14-18-1-3-23-24(11-18)34-17-33-23)25-13-20-12-21(2-4-22(20)35-25)27(31)6-8-29(9-7-27)15-19-5-10-32-16-19/h1-5,10-13,16,31H,6-9,14-15,17H2,(H,28,30)/p+1