N-[2-(3-fluorophenyl)ethyl]-5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(3-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(3-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(3-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C27H28FN2O4+ MolecularWeight: 463.520623

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC(=CC=C4)F)O)CC5=COC=C5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC(=CC=C4)F)O)CC5=COC=C5

InChI

InChI=1S/C27H27FN2O4/c28-23-3-1-2-19(14-23)6-10-29-26(31)25-16-21-15-22(4-5-24(21)34-25)27(32)8-11-30(12-9-27)17-20-7-13-33-18-20/h1-5,7,13-16,18,32H,6,8-12,17H2,(H,29,31)/p+1