1-(4-chlorophenyl)-2-(3,5-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate

Systemtic Name: 1-(4-chlorophenyl)-2-(3,5-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Openeye Name: 1-(4-chlorophenyl)-2-(3,5-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate CAS Name: 1-(4-chlorophenyl)-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-propanone bromide hydrate IUPAC Name: 1-(4-chlorophenyl)-2-(3,5-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Traditional Name: 1-(4-chlorophenyl)-2-(3,5-dimethylpyridin-1-ium-1-yl)propan-1-one bromide hydrate Formula: C16H19BrClNO2 MolecularWeight: 372.68456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClNO.BrH.H2O/c1-11-8-12(2)10-18(9-11)13(3)16(19)14-4-6-15(17)7-5-14;;/h4-10,13H,1-3H3;1H;1H2/q+1;;/p-1