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

Systemtic Name: 5-[1-[(4-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(p-tolylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(4-methylbenzyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)coumarilamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CN=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CN=CC=C5)O

InChI

InChI=1S/C28H29N3O3/c1-20-4-6-21(7-5-20)19-31-13-10-28(33,11-14-31)24-8-9-25-23(15-24)16-26(34-25)27(32)30-18-22-3-2-12-29-17-22/h2-9,12,15-17,33H,10-11,13-14,18-19H2,1H3,(H,30,32)/p+1