azanium 1-(4-ethyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione bromide

Systemtic Name: azanium 1-(4-ethyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione bromide Openeye Name: ammonium 1-(4-ethyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione bromide CAS Name: ammonium 1-(4-ethyl-2,3-dimethylphenyl)-2-phenylethane-1,2-dione bromide IUPAC Name: azanium 1-(4-ethyl-2,3-dimethylphenyl)-2-phenylethane-1,2-dione bromide Traditional Name: ammonium 1-(4-ethyl-2,3-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione bromide Formula: C18H22BrNO2 MolecularWeight: 364.27678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C)C.[NH4+].[Br-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C)C.[NH4+].[Br-]

InChI

InChI=1S/C18H18O2.BrH.H3N/c1-4-14-10-11-16(13(3)12(14)2)18(20)17(19)15-8-6-5-7-9-15;;/h5-11H,4H2,1-3H3;1H;1H3