2-(3-chloranyl-4-fluoranyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(3-chloro-4-fluorophenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-chloro-4-fluorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(3-chloro-4-fluoro-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H17ClFN2O2+ MolecularWeight: 287.737683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H16ClFN2O2/c1-16-4-6-17(7-5-16)13(18)9-19-10-2-3-12(15)11(14)8-10/h2-3,8H,4-7,9H2,1H3/p+1