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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(cyclohexylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(cyclohexylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(cyclohexylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-(cyclohexylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(cyclohexylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-piperonyl-coumarilamide Formula: C29H35N2O5+ MolecularWeight: 491.5986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C29H34N2O5/c32-28(30-17-21-6-8-25-26(14-21)35-19-34-25)27-16-22-15-23(7-9-24(22)36-27)29(33)10-12-31(13-11-29)18-20-4-2-1-3-5-20/h6-9,14-16,20,33H,1-5,10-13,17-19H2,(H,30,32)/p+1