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

Systemtic Name: 5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine; methyl sulfate Openeye Name: 5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine; methyl sulfate CAS Name: 5-(1-methyl-4-pyridin-1-iumyl)-2-(4-nitrophenyl)pyrimidine; methyl sulfate IUPAC Name: 5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine; methyl sulfate Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-2-(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=CN=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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