N-(1,3-benzodioxol-5-yl)-5-[1-[(E)-2-methylbut-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(E)-2-methylbut-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]coumarilamide Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C26H28N2O5/c1-3-17(2)15-28-10-8-26(30,9-11-28)19-4-6-21-18(12-19)13-24(33-21)25(29)27-20-5-7-22-23(14-20)32-16-31-22/h3-7,12-14,30H,8-11,15-16H2,1-2H3,(H,27,29)/p+1/b17-3+