1,3-dimethyl-4-nitro-imidazol-1-ium; methyl sulfate

Systemtic Name: 1,3-dimethyl-4-nitro-imidazol-1-ium; methyl sulfate Openeye Name: 1,3-dimethyl-4-nitro-imidazol-1-ium; methyl sulfate CAS Name: 1,3-dimethyl-4-nitroimidazol-1-ium; methyl sulfate IUPAC Name: 1,3-dimethyl-4-nitroimidazol-1-ium; methyl sulfate Traditional Name: 1,3-dimethyl-4-nitro-imidazol-1-ium; methyl sulfate Formula: C6H11N3O6S MolecularWeight: 253.23304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=C1[N+](=O)[O-])C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C=C1[N+](=O)[O-])C.COS(=O)(=O)[O-]

InChI

InChI=1S/C5H8N3O2.CH4O4S/c1-6-3-5(8(9)10)7(2)4-6;1-5-6(2,3)4/h3-4H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1