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

Systemtic Name: 5-[1-[(3-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-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-thienylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-hydroxy-3-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=CC(=C1O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CS5)O

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CS5)O

InChI

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