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

Systemtic Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Openeye Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate CAS Name: 1-(4-bromophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Traditional Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Formula: C15H17Br2NO2 MolecularWeight: 403.10898

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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.O.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrNO.BrH.H2O/c1-11-4-3-9-17(10-11)12(2)15(18)13-5-7-14(16)8-6-13;;/h3-10,12H,1-2H3;1H;1H2/q+1;;/p-1