1-[2,4-bis(oxidanyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,4-bis(oxidanyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,4-dihydroxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,4-dihydroxyphenyl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,4-dihydroxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanone Formula: C18H20FN2O3+ MolecularWeight: 331.361403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=C(C=C(C=C2)O)O)C3=CC=CC=C3F

InChI

InChI=1S/C18H19FN2O3/c19-15-3-1-2-4-16(15)21-9-7-20(8-10-21)12-18(24)14-6-5-13(22)11-17(14)23/h1-6,11,22-23H,7-10,12H2/p+1