1-(4-methylphenyl)-1H-pyrazol-1-ium; methyl sulfate

Systemtic Name: 1-(4-methylphenyl)-1H-pyrazol-1-ium; methyl sulfate Openeye Name: methyl sulfate; 1-(p-tolyl)-1H-pyrazol-1-ium CAS Name: 1-(4-methylphenyl)-1H-pyrazol-1-ium; methyl sulfate IUPAC Name: 1-(4-methylphenyl)-1H-pyrazol-1-ium; methyl sulfate Traditional Name: methyl sulfate; 1-(p-tolyl)-1H-pyrazol-1-ium Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH+]2C=CC=N2.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[NH+]2C=CC=N2.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H10N2.CH4O4S/c1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)