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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-32-20-6-8-24(33-2)22(16-20)28-26(30)25-15-18-14-19(5-7-23(18)34-25)27(31)9-11-29(12-10-27)17-21-4-3-13-35-21/h3-8,13-16,31H,9-12,17H2,1-2H3,(H,28,30)/p+1