5-[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(E)-3-(2-furyl)allyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(E)-3-(2-furanyl)prop-2-enyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[(E)-3-(2-furyl)allyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)coumarilamide Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)CC=CC5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CN=CC=C4)O)C/C=C/C5=CC=CO5

InChI

InChI=1S/C27H27N3O4/c31-26(29-19-20-4-1-11-28-18-20)25-17-21-16-22(7-8-24(21)34-25)27(32)9-13-30(14-10-27)12-2-5-23-6-3-15-33-23/h1-8,11,15-18,32H,9-10,12-14,19H2,(H,29,31)/p+1/b5-2+