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

Systemtic Name: 1-(2-chloroethyl)-1-methyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 1-(2-chloroethyl)-1-methyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate CAS Name: 1-(2-chloroethyl)-1-methylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 1-(2-chloroethyl)-1-methylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 1-(2-chloroethyl)-1-methyl-ethylenimin-1-ium; 2,4,6-trinitrobesylate Formula: C11H13ClN4O9S MolecularWeight: 412.76032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CC1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O9S.C5H11ClN/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-7(3-2-6)4-5-7/h1-2H,(H,16,17,18);2-5H2,1H3/q;+1/p-1