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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-benzyl-4-hydroxypiperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)-N-piperonyl-coumarilamide Formula: C29H29N2O5+ MolecularWeight: 485.55096

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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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O5/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/h1-9,14-16,33H,10-13,17-19H2,(H,30,32)/p+1