2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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