1-(2-nitrophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2-nitrophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Openeye Name: 1-(2-nitrophenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 1-(2-nitrophenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone IUPAC Name: 1-(2-nitrophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone Traditional Name: 1-(2-nitrophenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone Formula: C16H12N3O3S+ MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N3O3S/c20-15(12-4-1-2-5-14(12)19(21)22)10-18-8-7-13(17-11-18)16-6-3-9-23-16/h1-9,11H,10H2/q+1