1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium; methyl sulfate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium; methyl sulfate Openeye Name: 1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium; methyl sulfate CAS Name: 1,2-dimethyl-3,5-diphenylpyrazolidin-1-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-3,5-diphenylpyrazolidin-1-ium; methyl sulfate Traditional Name: 1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium; methyl sulfate Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(N1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(CC(N1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H20N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-12,16-17H,13H2,1-2H3;1H3,(H,2,3,4)