1-(3,4-dimethoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone Formula: C18H17N2O3S+ MolecularWeight: 341.40418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3)OC

InChI

InChI=1S/C18H17N2O3S/c1-22-16-6-5-13(10-17(16)23-2)15(21)11-20-8-7-14(19-12-20)18-4-3-9-24-18/h3-10,12H,11H2,1-2H3/q+1