4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C16H27N4O3S+ MolecularWeight: 355.47558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H26N4O3S/c1-24(22,23)16-18-9-14(11-19-8-7-17-15(21)12-19)20(16)10-13-5-3-2-4-6-13/h9,13H,2-8,10-12H2,1H3,(H,17,21)/p+1