2,3-dimethyl-4-nitro-1H-imidazol-3-ium; methanesulfonate

Systemtic Name: 2,3-dimethyl-4-nitro-1H-imidazol-3-ium; methanesulfonate Openeye Name: 2,3-dimethyl-4-nitro-1H-imidazol-3-ium; methanesulfonate CAS Name: 2,3-dimethyl-4-nitro-1H-imidazol-3-ium; methanesulfonate IUPAC Name: 2,3-dimethyl-4-nitro-1H-imidazol-3-ium; methanesulfonate Traditional Name: 2,3-dimethyl-4-nitro-1H-imidazol-3-ium mesylate Formula: C6H11N3O5S MolecularWeight: 237.23364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)[N+](=O)[O-])C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CN1)[N+](=O)[O-])C.CS(=O)(=O)[O-]

InChI

InChI=1S/C5H7N3O2.CH4O3S/c1-4-6-3-5(7(4)2)8(9)10;1-5(2,3)4/h3H,1-2H3;1H3,(H,2,3,4)