2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C24H27FN3O4+ MolecularWeight: 440.487283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O4/c1-3-31-19-8-9-21-20(14-19)16(2)23(32-21)24(30)28-12-10-27(11-13-28)15-22(29)26-18-6-4-17(25)5-7-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29)/p+1