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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(3-thienylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(3-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=CSC=C6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O)CC6=CSC=C6

InChI

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