1-naphthalen-2-yl-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-naphthalen-2-yl-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(2-naphthyl)-2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-naphthalenyl)-2-[4-(2-naphthalenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-naphthalen-2-yl-2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(2-naphthyl)-2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C26H19BrN2O MolecularWeight: 455.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C26H19N2O.BrH/c29-26(24-12-10-20-6-2-4-8-22(20)16-24)17-28-14-13-25(27-18-28)23-11-9-19-5-1-3-7-21(19)15-23;/h1-16,18H,17H2;1H/q+1;/p-1