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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-(o-tolylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-(2-methylbenzyl)piperidin-1-ium-4-yl]coumarilamide Formula: C29H29N2O5+ MolecularWeight: 485.55096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C29H28N2O5/c1-19-4-2-3-5-20(19)17-31-12-10-29(33,11-13-31)22-6-8-24-21(14-22)15-27(36-24)28(32)30-23-7-9-25-26(16-23)35-18-34-25/h2-9,14-16,33H,10-13,17-18H2,1H3,(H,30,32)/p+1