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

Systemtic Name: 5-[1-[(3-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(m-tolylmethyl)piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(3-methylbenzyl)piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O

InChI

InChI=1S/C26H32N2O3/c1-18(2)16-27-25(29)24-15-21-14-22(7-8-23(21)31-24)26(30)9-11-28(12-10-26)17-20-6-4-5-19(3)13-20/h4-8,13-15,18,30H,9-12,16-17H2,1-3H3,(H,27,29)/p+1