5-[1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2,4-dimethoxy-3-methyl-benzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C28H37N2O5+ MolecularWeight: 481.60378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)OC

InChI

InChI=1S/C28H36N2O5/c1-18(2)16-29-27(31)25-15-21-14-22(7-9-24(21)35-25)28(32)10-12-30(13-11-28)17-20-6-8-23(33-4)19(3)26(20)34-5/h6-9,14-15,18,32H,10-13,16-17H2,1-5H3,(H,29,31)/p+1