1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C15H20FN4O2S2+ MolecularWeight: 371.473303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C15H19FN4O2S2/c1-17-6-9-19(15(17)23)12-18-7-10-20(11-8-18)24(21,22)14-5-3-2-4-13(14)16/h2-6,9H,7-8,10-12H2,1H3/p+1