4-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 4-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 4-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 4-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 4-[(4-methoxyphenyl)methoxy]-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 1,2-dimethyl-4-p-anisyloxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N2O2.CH4O4S/c1-26-23(20-10-6-4-7-11-20)25(24(27(26)2)21-12-8-5-9-13-21)29-18-19-14-16-22(28-3)17-15-19;1-5-6(2,3)4/h4-17H,18H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1