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

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-phenyl-propan-1-one bromide hydrate Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-phenyl-propan-1-one bromide hydrate CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-phenyl-1-propanone bromide hydrate IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-phenylpropan-1-one bromide hydrate Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-phenyl-propan-1-one bromide hydrate Formula: C14H15Br2NO2 MolecularWeight: 389.0824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrNO.BrH.H2O/c1-11(16-9-5-8-13(15)10-16)14(17)12-6-3-2-4-7-12;;/h2-11H,1H3;1H;1H2/q+1;;/p-1