5-[1-[(2-ethoxyphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(2-ethoxyphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2-ethoxyphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(2-ethoxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2-ethoxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2-ethoxybenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O

InChI

InChI=1S/C27H34N2O4/c1-4-32-23-8-6-5-7-20(23)18-29-13-11-27(31,12-14-29)22-9-10-24-21(15-22)16-25(33-24)26(30)28-17-19(2)3/h5-10,15-16,19,31H,4,11-14,17-18H2,1-3H3,(H,28,30)/p+1