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

Systemtic Name: N-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-5-[1-(3-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-5-[1-(3-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(2-fluorobenzyl)-5-[1-(3-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C26H26FN2O4+ MolecularWeight: 449.494043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=C4F)O)CC5=COC=C5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=C4F)O)CC5=COC=C5

InChI

InChI=1S/C26H25FN2O4/c27-22-4-2-1-3-19(22)15-28-25(30)24-14-20-13-21(5-6-23(20)33-24)26(31)8-10-29(11-9-26)16-18-7-12-32-17-18/h1-7,12-14,17,31H,8-11,15-16H2,(H,28,30)/p+1