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

Systemtic Name: 1,4-dimethyl-3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Openeye Name: 1,4-dimethyl-3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate CAS Name: 1,4-dimethyl-3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate IUPAC Name: 1,4-dimethyl-3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Traditional Name: 1,4-dimethyl-3,5-diphenyl-1H-pyrazol-1-ium; methyl sulfate Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](N=C1C2=CC=CC=C2)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C([NH+](N=C1C2=CC=CC=C2)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2.CH4O4S/c1-13-16(14-9-5-3-6-10-14)18-19(2)17(13)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)