1,2-dimethyl-3,5-diphenyl-4-prop-2-enoxy-pyrazol-2-ium; methyl sulfate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-enoxy-pyrazol-2-ium; methyl sulfate Openeye Name: 4-allyloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-enoxypyrazol-2-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-enoxypyrazol-2-ium; methyl sulfate Traditional Name: 4-allyloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC=C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC=C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H21N2O.CH4O4S/c1-4-15-23-20-18(16-11-7-5-8-12-16)21(2)22(3)19(20)17-13-9-6-10-14-17;1-5-6(2,3)4/h4-14H,1,15H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1