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

Systemtic Name: 5-[1-(1-benzothiophen-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(benzothiophen-2-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(1-benzothiophen-2-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(1-benzothiophen-2-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(benzothiophen-2-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)coumarilamide Formula: C29H28N3O3S+ MolecularWeight: 498.61592

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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=CC6=CC=CC=C6S5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=N4)O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C29H27N3O3S/c33-28(31-18-23-6-3-4-12-30-23)26-17-21-15-22(8-9-25(21)35-26)29(34)10-13-32(14-11-29)19-24-16-20-5-1-2-7-27(20)36-24/h1-9,12,15-17,34H,10-11,13-14,18-19H2,(H,31,33)/p+1