5-[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(3-ethoxy-2-hydroxy-benzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C28H35N2O6+ MolecularWeight: 495.5873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5CCCO5)O

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC[C@H]5CCCO5)O

InChI

InChI=1S/C28H34N2O6/c1-2-34-24-7-3-5-19(26(24)31)18-30-12-10-28(33,11-13-30)21-8-9-23-20(15-21)16-25(36-23)27(32)29-17-22-6-4-14-35-22/h3,5,7-9,15-16,22,31,33H,2,4,6,10-14,17-18H2,1H3,(H,29,32)/p+1/t22-/m1/s1