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

Systemtic Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Openeye Name: 1-(3-methoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Traditional Name: 1-(3-methoxyphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone Formula: C17H15N2O2S+ MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N2O2S/c1-21-14-5-2-4-13(10-14)16(20)11-19-8-7-15(18-12-19)17-6-3-9-22-17/h2-10,12H,11H2,1H3/q+1