5-[1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(2-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-thienylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-N-(2-thenyl)coumarilamide Formula: C27H29N2O5S+ MolecularWeight: 493.59456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CS5)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CS5)O)O

InChI

InChI=1S/C27H28N2O5S/c1-33-21-6-4-18(23(30)15-21)17-29-10-8-27(32,9-11-29)20-5-7-24-19(13-20)14-25(34-24)26(31)28-16-22-3-2-12-35-22/h2-7,12-15,30,32H,8-11,16-17H2,1H3,(H,28,31)/p+1