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

Systemtic Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[4-(3-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(=C3)F

Isomeric SMILES

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

InChI

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