4-butan-2-yloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 1,2-dimethyl-3,5-diphenyl-4-sec-butoxy-pyrazol-2-ium; methyl sulfate CAS Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 1,2-dimethyl-3,5-diphenyl-4-sec-butoxy-pyrazol-2-ium; methyl sulfate Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(C)OC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H25N2O.CH4O4S/c1-5-16(2)24-21-19(17-12-8-6-9-13-17)22(3)23(4)20(21)18-14-10-7-11-15-18;1-5-6(2,3)4/h6-16H,5H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1