1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate

Systemtic Name: 1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Openeye Name: 1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate CAS Name: 1-(4-bromophenyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Traditional Name: 1-(4-bromophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Formula: C16H19Br2NO2 MolecularWeight: 417.13556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)C(C)C(=O)C2=CC=C(C=C2)Br)C.O.[Br-]

Isomeric SMILES

CC1=C([N+](=CC=C1)C(C)C(=O)C2=CC=C(C=C2)Br)C.O.[Br-]

InChI

InChI=1S/C16H17BrNO.BrH.H2O/c1-11-5-4-10-18(12(11)2)13(3)16(19)14-6-8-15(17)9-7-14;;/h4-10,13H,1-3H3;1H;1H2/q+1;;/p-1