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

Systemtic Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-yl-propan-1-one bromide hydrate Openeye Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-yl-propan-1-one bromide hydrate CAS Name: 1-(4-bromophenyl)-2-(1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-ylpropan-1-one bromide hydrate Traditional Name: 1-(4-bromophenyl)-2-pyridin-1-ium-1-yl-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=C(C=C1)Br)[N+]2=CC=CC=C2.O.[Br-]

Isomeric SMILES

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

InChI

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