3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C16H20FN4O2+ MolecularWeight: 319.354003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3F

InChI

InChI=1S/C16H19FN4O2/c1-20-8-10-21(11-9-20)15(22)7-6-14-18-16(19-23-14)12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3/p+1