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

Systemtic Name: 5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(3-thienylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(3-thenyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)coumarilamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC5=CSC=C5

InChI

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