dimethyl-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-(2-oxidanylidenepropyl)azanium bromide

Systemtic Name: dimethyl-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-(2-oxidanylidenepropyl)azanium bromide Openeye Name: acetonyl-dimethyl-[2-(4-nitrophenyl)-2-oxo-ethyl]ammonium bromide CAS Name: dimethyl-[2-(4-nitrophenyl)-2-oxoethyl]-(2-oxopropyl)ammonium bromide IUPAC Name: dimethyl-[2-(4-nitrophenyl)-2-oxoethyl]-(2-oxopropyl)azanium bromide Traditional Name: acetonyl-[2-keto-2-(4-nitrophenyl)ethyl]-dimethyl-ammonium bromide Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2O4.BrH/c1-10(16)8-15(2,3)9-13(17)11-4-6-12(7-5-11)14(18)19;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1