methyl sulfate; 1,2,3-trimethyl-4-nitro-imidazol-1-ium

Systemtic Name: methyl sulfate; 1,2,3-trimethyl-4-nitro-imidazol-1-ium Openeye Name: methyl sulfate; 1,2,3-trimethyl-4-nitro-imidazol-1-ium CAS Name: methyl sulfate; 1,2,3-trimethyl-4-nitroimidazol-1-ium IUPAC Name: methyl sulfate; 1,2,3-trimethyl-4-nitroimidazol-1-ium Traditional Name: methyl sulfate; 1,2,3-trimethyl-4-nitro-imidazol-1-ium Formula: C7H13N3O6S MolecularWeight: 267.25962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1C)[N+](=O)[O-])C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=C(N1C)[N+](=O)[O-])C.COS(=O)(=O)[O-]

InChI

InChI=1S/C6H10N3O2.CH4O4S/c1-5-7(2)4-6(8(5)3)9(10)11;1-5-6(2,3)4/h4H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1