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

Systemtic Name: 1-naphthalen-1-yl-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-naphthyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(1-naphthalenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-naphthalen-1-yl-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-naphthyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C20H15BrN2OS MolecularWeight: 411.3149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

InChI

InChI=1S/C20H15N2OS.BrH/c23-19(17-8-3-6-15-5-1-2-7-16(15)17)13-22-11-10-18(21-14-22)20-9-4-12-24-20;/h1-12,14H,13H2;1H/q+1;/p-1