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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=C(C=CC(=C4)OC)OC)O

InChI

InChI=1S/C27H34N2O5/c1-26(2,3)17-29-12-10-27(31,11-13-29)19-6-8-22-18(14-19)15-24(34-22)25(30)28-21-16-20(32-4)7-9-23(21)33-5/h6-9,14-16,31H,10-13,17H2,1-5H3,(H,28,30)/p+1