1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-])F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-])F

InChI

InChI=1S/C19H20FN3O3S/c1-14(24)15-5-6-17(16(20)12-15)21-8-10-22(11-9-21)18(25)13-27-19-4-2-3-7-23(19)26/h2-7,12H,8-11,13H2,1H3