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

Systemtic Name: 5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-thenyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)coumarilamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)CC5=CC=CS5

InChI

InChI=1S/C25H25N3O3S/c29-24(27-16-20-4-1-2-10-26-20)23-15-18-14-19(6-7-22(18)31-23)25(30)8-11-28(12-9-25)17-21-5-3-13-32-21/h1-7,10,13-15,30H,8-9,11-12,16-17H2,(H,27,29)/p+1