4-chloranyl-N-(2-chloroethyl)-N-methyl-butan-1-amine oxide; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 4-chloranyl-N-(2-chloroethyl)-N-methyl-butan-1-amine oxide; 2,4,6-trinitrobenzenesulfonate Openeye Name: 4-chloro-N-(2-chloroethyl)-N-methyl-butan-1-amine oxide; 2,4,6-trinitrobenzenesulfonate CAS Name: 4-chloro-N-(2-chloroethyl)-N-methyl-1-butanamine oxide; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 4-chloro-N-(2-chloroethyl)-N-methylbutan-1-amine oxide; 2,4,6-trinitrobenzenesulfonate Traditional Name: 4-chloro-N-(2-chloroethyl)-N-methyl-butan-1-amine oxide; 2,4,6-trinitrobesylate Formula: C13H17Cl2N4O10S- MolecularWeight: 492.26588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15Cl2NO.C6H3N3O9S/c1-10(11,7-5-9)6-3-2-4-8;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-7H2,1H3;1-2H,(H,16,17,18)/p-1