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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(4-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(p-tolylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(4-methylbenzyl)piperidin-1-ium-4-yl]-N-piperonyl-coumarilamide Formula: C30H31N2O5+ MolecularWeight: 499.57754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C30H30N2O5/c1-20-2-4-21(5-3-20)18-32-12-10-30(34,11-13-32)24-7-9-25-23(15-24)16-28(37-25)29(33)31-17-22-6-8-26-27(14-22)36-19-35-26/h2-9,14-16,34H,10-13,17-19H2,1H3,(H,31,33)/p+1