1,2-dimethyl-4-(2-methylpropoxy)-3,5-diphenyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 1,2-dimethyl-4-(2-methylpropoxy)-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 4-isobutoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 1,2-dimethyl-4-(2-methylpropoxy)-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-4-(2-methylpropoxy)-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 4-isobutoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)COC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H25N2O.CH4O4S/c1-16(2)15-24-21-19(17-11-7-5-8-12-17)22(3)23(4)20(21)18-13-9-6-10-14-18;1-5-6(2,3)4/h5-14,16H,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1