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

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-piperonyl-piperidin-1-ium-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C27H31N2O6+ MolecularWeight: 479.54484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C27H30N2O6/c30-26(28-15-21-2-1-11-32-21)25-14-19-13-20(4-6-22(19)35-25)27(31)7-9-29(10-8-27)16-18-3-5-23-24(12-18)34-17-33-23/h3-6,12-14,21,31H,1-2,7-11,15-17H2,(H,28,30)/p+1/t21-/m1/s1