2-(1-methylpyridin-1-ium-4-yl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-nitrophenyl)pyrimidine; methyl sulfate Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C16H13N4O2.CH4O4S/c1-19-8-6-13(7-9-19)16-17-10-14(11-18-16)12-2-4-15(5-3-12)20(21)22;1-5-6(2,3)4/h2-11H,1H3;1H3,(H,2,3,4)/q+1;/p-1