2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C21H25F2N2O3+ MolecularWeight: 391.431606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24F2N2O3/c1-27-19-6-4-17(22)13-16(19)14-24-7-9-25(10-8-24)21(26)12-15-3-5-20(28-2)18(23)11-15/h3-6,11,13H,7-10,12,14H2,1-2H3/p+1