2-[3-chloranylpropyl(2-chloroethyl)amino]ethanamide; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 2-[3-chloranylpropyl(2-chloroethyl)amino]ethanamide; 2,4,6-trinitrobenzenesulfonate Openeye Name: 2-[2-chloroethyl(3-chloropropyl)amino]acetamide; 2,4,6-trinitrobenzenesulfonate CAS Name: 2-[2-chloroethyl(3-chloropropyl)amino]acetamide; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 2-[2-chloroethyl(3-chloropropyl)amino]acetamide; 2,4,6-trinitrobenzenesulfonate Traditional Name: 2-[2-chloroethyl(3-chloropropyl)amino]acetamide; 2,4,6-trinitrobesylate Formula: C13H16Cl2N5O10S- MolecularWeight: 505.26464

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(CN(CCCl)CC(=O)N)CCl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(CN(CCCl)CC(=O)N)CCl

InChI

InChI=1S/C7H14Cl2N2O.C6H3N3O9S/c8-2-1-4-11(5-3-9)6-7(10)12;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-6H2,(H2,10,12);1-2H,(H,16,17,18)/p-1