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

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-phenylmethoxy-pyrazol-2-ium; methyl sulfate Openeye Name: 4-benzyloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 1,2-dimethyl-3,5-diphenyl-4-phenylmethoxypyrazol-2-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-3,5-diphenyl-4-phenylmethoxypyrazol-2-ium; methyl sulfate Traditional Name: 4-benzoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H23N2O.CH4O4S/c1-25-22(20-14-8-4-9-15-20)24(27-18-19-12-6-3-7-13-19)23(26(25)2)21-16-10-5-11-17-21;1-5-6(2,3)4/h3-17H,18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1