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

Systemtic Name: 1-naphthalen-1-yl-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-naphthyl)-2-[4-(1-naphthyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(1-naphthalenyl)-2-[4-(1-naphthalenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-naphthalen-1-yl-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-naphthyl)-2-[4-(1-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(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC=CC5=CC=CC=C54.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC=CC5=CC=CC=C54.[Br-]

InChI

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