1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(6-methoxy-3-benzofuranyl)ethanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone Formula: C22H23ClFN2O3+ MolecularWeight: 417.881023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H22ClFN2O3/c1-28-16-5-6-17-15(14-29-21(17)12-16)11-22(27)26-9-7-25(8-10-26)13-18-19(23)3-2-4-20(18)24/h2-6,12,14H,7-11,13H2,1H3/p+1