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

Systemtic Name: 5-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(5-chloro-2-hydroxy-benzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)coumarilamide Formula: C27H27ClN3O4+ MolecularWeight: 492.97398

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC5=C(C=CC(=C5)Cl)O

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC5=C(C=CC(=C5)Cl)O

InChI

InChI=1S/C27H26ClN3O4/c28-22-4-5-23(32)20(13-22)17-31-10-7-27(34,8-11-31)21-3-6-24-19(12-21)14-25(35-24)26(33)30-16-18-2-1-9-29-15-18/h1-6,9,12-15,32,34H,7-8,10-11,16-17H2,(H,30,33)/p+1