2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C17H15BrN2O3 MolecularWeight: 375.2166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3.[Br-]

InChI

InChI=1S/C17H15N2O3.BrH/c1-21-14-6-4-13(5-7-14)16(20)11-19-9-8-15(18-12-19)17-3-2-10-22-17;/h2-10,12H,11H2,1H3;1H/q+1;/p-1