1-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-15(24)16-3-8-20(27-2)17(13-16)14-22-9-11-23(12-10-22)28(25,26)19-6-4-18(21)5-7-19/h3-8,13H,9-12,14H2,1-2H3/p+1