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

Systemtic Name: N-[2-(3-fluorophenyl)ethyl]-5-[1-(2-methylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(3-fluorophenyl)ethyl]-5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)benzofuran-2-carboxamide CAS Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(2-methylpropyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(2-methylpropyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(3-fluorophenyl)ethyl]-5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)coumarilamide Formula: C26H32FN2O3+ MolecularWeight: 439.542283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC(=CC=C4)F)O

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC(=CC=C4)F)O

InChI

InChI=1S/C26H31FN2O3/c1-18(2)17-29-12-9-26(31,10-13-29)21-6-7-23-20(15-21)16-24(32-23)25(30)28-11-8-19-4-3-5-22(27)14-19/h3-7,14-16,18,31H,8-13,17H2,1-2H3,(H,28,30)/p+1