3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate

Systemtic Name: 3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Openeye Name: 3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate CAS Name: 3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate IUPAC Name: 3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Traditional Name: 3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC(=N[NH2+]2)C3=CC=CC=C3

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC(=N[NH2+]2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2.CH4O4S/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;1-5-6(2,3)4/h1-11H,(H,16,17);1H3,(H,2,3,4)