2-[(E)-(1-methoxypyridin-1-ium-2-yl)diazenyl]-1-methyl-4-phenyl-pyrazol-3-one; methyl sulfate

Systemtic Name: 2-[(E)-(1-methoxypyridin-1-ium-2-yl)diazenyl]-1-methyl-4-phenyl-pyrazol-3-one; methyl sulfate Openeye Name: 2-[(E)-(1-methoxypyridin-1-ium-2-yl)azo]-1-methyl-4-phenyl-pyrazol-3-one; methyl sulfate CAS Name: 2-[(E)-(1-methoxy-2-pyridin-1-iumyl)azo]-1-methyl-4-phenyl-3-pyrazolone; methyl sulfate IUPAC Name: 2-[(E)-(1-methoxypyridin-1-ium-2-yl)diazenyl]-1-methyl-4-phenylpyrazol-3-one; methyl sulfate Traditional Name: 2-[(E)-(1-methoxypyridin-1-ium-2-yl)azo]-1-methyl-4-phenyl-3-pyrazolin-3-one; methyl sulfate Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1N=NC2=CC=CC=[N+]2OC)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C(=O)N1/N=N/C2=CC=CC=[N+]2OC)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H16N5O2.CH4O4S/c1-19-12-14(13-8-4-3-5-9-13)16(22)21(19)18-17-15-10-6-7-11-20(15)23-2;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1