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

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-bromophenyl)propan-1-one bromide hydrate Openeye Name: 1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)propan-1-one bromide hydrate CAS Name: 1-(4-bromophenyl)-2-(3-bromo-1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)propan-1-one bromide hydrate Traditional Name: 1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)propan-1-one bromide hydrate Formula: C14H14Br3NO2 MolecularWeight: 467.97846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=CC(=C2)Br.O.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)[N+]2=CC=CC(=C2)Br.O.[Br-]

InChI

InChI=1S/C14H12Br2NO.BrH.H2O/c1-10(17-8-2-3-13(16)9-17)14(18)11-4-6-12(15)7-5-11;;/h2-10H,1H3;1H;1H2/q+1;;/p-1