bis(2-chloroethyl)-methyl-[2-(3-methyl-5-nitro-imidazol-4-yl)-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-methyl-[2-(3-methyl-5-nitro-imidazol-4-yl)-2-oxidanylidene-ethyl]azanium chloride Openeye Name: bis(2-chloroethyl)-methyl-[2-(3-methyl-5-nitro-imidazol-4-yl)-2-oxo-ethyl]ammonium chloride CAS Name: bis(2-chloroethyl)-methyl-[2-(3-methyl-5-nitro-4-imidazolyl)-2-oxoethyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-methyl-[2-(3-methyl-5-nitroimidazol-4-yl)-2-oxoethyl]azanium chloride Traditional Name: bis(2-chloroethyl)-[2-keto-2-(3-methyl-5-nitro-imidazol-4-yl)ethyl]-methyl-ammonium chloride Formula: C11H17Cl3N4O3 MolecularWeight: 359.63668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C(=O)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN1C=NC(=C1C(=O)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H17Cl2N4O3.ClH/c1-15-8-14-11(16(19)20)10(15)9(18)7-17(2,5-3-12)6-4-13;/h8H,3-7H2,1-2H3;1H/q+1;/p-1