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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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