4-methoxy-1-methyl-3,5-diphenyl-2-(phenylmethyl)pyrazol-1-ium; methyl sulfate

Systemtic Name: 4-methoxy-1-methyl-3,5-diphenyl-2-(phenylmethyl)pyrazol-1-ium; methyl sulfate Openeye Name: 1-benzyl-4-methoxy-2-methyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 4-methoxy-1-methyl-3,5-diphenyl-2-(phenylmethyl)pyrazol-1-ium; methyl sulfate IUPAC Name: 1-benzyl-4-methoxy-2-methyl-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 1-benzyl-4-methoxy-2-methyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)OC)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)OC)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

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