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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-thenyl)piperidin-1-ium-4-yl]-N-piperonyl-coumarilamide Formula: C27H27N2O5S+ MolecularWeight: 491.57868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O)CC6=CC=CS6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O)CC6=CC=CS6

InChI

InChI=1S/C27H26N2O5S/c30-26(28-15-18-3-5-23-24(12-18)33-17-32-23)25-14-19-13-20(4-6-22(19)34-25)27(31)7-9-29(10-8-27)16-21-2-1-11-35-21/h1-6,11-14,31H,7-10,15-17H2,(H,28,30)/p+1