(3-bromanyl-2,3-dimethyl-butan-2-yl)-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium bromide

Systemtic Name: (3-bromanyl-2,3-dimethyl-butan-2-yl)-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium bromide Openeye Name: (2-bromo-1,1,2-trimethyl-propyl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonium bromide CAS Name: (3-bromo-2,3-dimethylbutan-2-yl)-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]ammonium bromide IUPAC Name: (3-bromo-2,3-dimethylbutan-2-yl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]azanium bromide Traditional Name: (2-bromo-1,1,2-trimethyl-propyl)-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]ammonium bromide Formula: C12H22Br2N4O3 MolecularWeight: 430.13608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(C)Br)[NH2+]CC(CN1C=CN=C1[N+](=O)[O-])O.[Br-]

Isomeric SMILES

CC(C)(C(C)(C)Br)[NH2+]CC(CN1C=CN=C1[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C12H21BrN4O3.BrH/c1-11(2,13)12(3,4)15-7-9(18)8-16-6-5-14-10(16)17(19)20;/h5-6,9,15,18H,7-8H2,1-4H3;1H