N-(1,3-benzodioxol-5-ylmethyl)-5-(1-cyclopentyl-4-oxidanyl-piperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-cyclopentyl-4-oxidanyl-piperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-cyclopentyl-4-hydroxy-4-piperidin-1-iumyl)-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-cyclopentyl-4-hydroxypiperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)-N-piperonyl-coumarilamide Formula: C27H31N2O5+ MolecularWeight: 463.54544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C27H30N2O5/c30-26(28-16-18-5-7-23-24(13-18)33-17-32-23)25-15-19-14-20(6-8-22(19)34-25)27(31)9-11-29(12-10-27)21-3-1-2-4-21/h5-8,13-15,21,31H,1-4,9-12,16-17H2,(H,28,30)/p+1