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

Systemtic Name: 1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Openeye Name: 1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate CAS Name: 1-(4-chlorophenyl)-2-(2-methyl-1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Traditional Name: 1-(4-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Formula: C15H17BrClNO2 MolecularWeight: 358.65798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Cl.O.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Cl.O.[Br-]

InChI

InChI=1S/C15H15ClNO.BrH.H2O/c1-11-5-3-4-10-17(11)12(2)15(18)13-6-8-14(16)9-7-13;;/h3-10,12H,1-2H3;1H;1H2/q+1;;/p-1