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

Systemtic Name: 5-[1-[(3,5-dimethoxyphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(3,5-dimethoxybenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C27H35N2O5+ MolecularWeight: 467.5772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-18(2)16-28-26(30)25-14-20-13-21(5-6-24(20)34-25)27(31)7-9-29(10-8-27)17-19-11-22(32-3)15-23(12-19)33-4/h5-6,11-15,18,31H,7-10,16-17H2,1-4H3,(H,28,30)/p+1