1-ethyl-2-methyl-4-phenoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 1-ethyl-2-methyl-4-phenoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 1-ethyl-2-methyl-4-phenoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 1-ethyl-2-methyl-4-phenoxy-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 1-ethyl-2-methyl-4-phenoxy-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 1-ethyl-2-methyl-4-phenoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H23N2O.CH4O4S/c1-3-26-23(20-15-9-5-10-16-20)24(27-21-17-11-6-12-18-21)22(25(26)2)19-13-7-4-8-14-19;1-5-6(2,3)4/h4-18H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1