1-(2-chloroethyl)-2-ethyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 1-(2-chloroethyl)-2-ethyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 1-(2-chloroethyl)-2-ethyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate CAS Name: 1-(2-chloroethyl)-2-ethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 1-(2-chloroethyl)-2-ethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 1-(2-chloroethyl)-2-ethyl-ethylenimin-1-ium; 2,4,6-trinitrobesylate Formula: C12H15ClN4O9S MolecularWeight: 426.7869

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+]1CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1C[NH+]1CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H12ClN.C6H3N3O9S/c1-2-6-5-8(6)4-3-7;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h6H,2-5H2,1H3;1-2H,(H,16,17,18)