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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)propan-1-one bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)propan-1-one bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-phenylphenyl)-1-propanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)propan-1-one bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)propan-1-one bromide Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C22H22NO.BrH/c1-16-13-17(2)15-23(14-16)18(3)22(24)21-11-9-20(10-12-21)19-7-5-4-6-8-19;/h4-15,18H,1-3H3;1H/q+1;/p-1