5-[1-[(4-ethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(4-ethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(4-ethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)coumarilamide Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CC=N5)O

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CC=N5)O

InChI

InChI=1S/C29H31N3O3/c1-2-21-6-8-22(9-7-21)20-32-15-12-29(34,13-16-32)24-10-11-26-23(17-24)18-27(35-26)28(33)31-19-25-5-3-4-14-30-25/h3-11,14,17-18,34H,2,12-13,15-16,19-20H2,1H3,(H,31,33)/p+1