2-[(2S,4S,5S)-5-bromanyl-2-methyl-4-nitro-imidazolidine-1,3-diium-1-yl]-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-[(2S,4S,5S)-5-bromanyl-2-methyl-4-nitro-imidazolidine-1,3-diium-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[(2S,4S,5S)-5-bromo-2-methyl-4-nitro-imidazolidine-1,3-diium-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[(2S,4S,5S)-5-bromo-2-methyl-4-nitro-1-imidazolidine-1,3-diiumyl]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[(2S,4S,5S)-5-bromo-2-methyl-4-nitroimidazolidine-1,3-diium-1-yl]-1-(4-chlorophenyl)ethanone Traditional Name: 2-[(2S,4S,5S)-5-bromo-2-methyl-4-nitro-imidazolidine-1,3-diium-1-yl]-1-(4-chlorophenyl)ethanone Formula: C12H15BrClN3O3+2 MolecularWeight: 364.6228

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Descriptors Computed from Structure

Canonical SMILES:

CC1[NH2+]C(C([NH+]1CC(=O)C2=CC=C(C=C2)Cl)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[NH2+][C@H]([C@@H]([NH+]1CC(=O)C2=CC=C(C=C2)Cl)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H13BrClN3O3/c1-7-15-12(17(19)20)11(13)16(7)6-10(18)8-2-4-9(14)5-3-8/h2-5,7,11-12,15H,6H2,1H3/p+2/t7-,11+,12-/m0/s1