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

Systemtic Name: N-(4-methoxyphenyl)-5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]-N-(4-methoxyphenyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-N-(4-methoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-thenyl)piperidin-1-ium-4-yl]-N-(4-methoxyphenyl)coumarilamide Formula: C26H27N2O4S+ MolecularWeight: 463.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CS5)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CS5)O

InChI

InChI=1S/C26H26N2O4S/c1-31-21-7-5-20(6-8-21)27-25(29)24-16-18-15-19(4-9-23(18)32-24)26(30)10-12-28(13-11-26)17-22-3-2-14-33-22/h2-9,14-16,30H,10-13,17H2,1H3,(H,27,29)/p+1