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

Systemtic Name: 1-methyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methyl-imidazole-2-thione CAS Name: 1-methyl-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methylimidazole-2-thione Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-methyl-4-imidazoline-2-thione Formula: C16H23N4O2S2+ MolecularWeight: 367.50942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2S2/c1-17-7-10-19(16(17)23)14-18-8-11-20(12-9-18)24(21,22)13-15-5-3-2-4-6-15/h2-7,10H,8-9,11-14H2,1H3/p+1