1-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione

Systemtic Name: 1-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione CAS Name: 1-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione Traditional Name: 1-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methyl-4-imidazoline-2-thione Formula: C18H27N4O2S2+ MolecularWeight: 395.56258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)C)C

InChI

InChI=1S/C18H26N4O2S2/c1-14-11-15(2)17(16(3)12-14)26(23,24)22-9-6-20(7-10-22)13-21-8-5-19(4)18(21)25/h5,8,11-12H,6-7,9-10,13H2,1-4H3/p+1