1,1,2,3-tetramethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 1,1,2,3-tetramethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 1,1,2,3-tetramethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate CAS Name: 1,1,2,3-tetramethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 1,1,2,3-tetramethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 1,1,2,3-tetramethylethylenimin-1-ium; 2,4,6-trinitrobesylate Formula: C12H16N4O9S MolecularWeight: 392.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+]1(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C([N+]1(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O9S.C6H14N/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-5-6(2)7(5,3)4/h1-2H,(H,16,17,18);5-6H,1-4H3/q;+1/p-1