2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide Traditional Name: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide Formula: C24H21BrN2O MolecularWeight: 433.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3)C.[Br-]

InChI

InChI=1S/C24H21N2O.BrH/c1-17-7-10-22(18(2)13-17)23-11-12-26(16-25-23)15-24(27)21-9-8-19-5-3-4-6-20(19)14-21;/h3-14,16H,15H2,1-2H3;1H/q+1;/p-1