5-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC5=NSN=C5C=C4)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC5=NSN=C5C=C4)O

InChI

InChI=1S/C25H28N4O3S/c1-16(2)14-26-24(30)23-13-18-12-19(4-6-22(18)32-23)25(31)7-9-29(10-8-25)15-17-3-5-20-21(11-17)28-33-27-20/h3-6,11-13,16,31H,7-10,14-15H2,1-2H3,(H,26,30)/p+1