1-(3-chloranylpropyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 1-(3-chloranylpropyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 1-(3-chloropropyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate CAS Name: 1-(3-chloropropyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 1-(3-chloropropyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 1-(3-chloropropyl)ethylenimin-1-ium; 2,4,6-trinitrobesylate Formula: C11H13ClN4O9S MolecularWeight: 412.76032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O9S.C5H10ClN/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;6-2-1-3-7-4-5-7/h1-2H,(H,16,17,18);1-5H2