5-chloranyl-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 5-chloranyl-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonate Openeye Name: 5-chloro-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonate CAS Name: 5-chloro-N-(2-chloroethyl)-N-methyl-1-pentanamine; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 5-chloro-N-(2-chloroethyl)-N-methylpentan-1-amine; 2,4,6-trinitrobenzenesulfonate Traditional Name: 2-chloroethyl-(5-chloropentyl)-methyl-amine; 2,4,6-trinitrobesylate Formula: C14H19Cl2N4O9S- MolecularWeight: 490.29306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17Cl2N.C6H3N3O9S/c1-11(8-6-10)7-4-2-3-5-9;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-8H2,1H3;1-2H,(H,16,17,18)/p-1