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

Systemtic Name: methyl sulfate; 1,2,4-trimethyl-3,5-diphenyl-pyrazol-1-ium Openeye Name: methyl sulfate; 1,2,4-trimethyl-3,5-diphenyl-pyrazol-1-ium CAS Name: methyl sulfate; 1,2,4-trimethyl-3,5-diphenylpyrazol-1-ium IUPAC Name: methyl sulfate; 1,2,4-trimethyl-3,5-diphenylpyrazol-1-ium Traditional Name: methyl sulfate; 1,2,4-trimethyl-3,5-diphenyl-pyrazol-1-ium Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2.CH4O4S/c1-14-17(15-10-6-4-7-11-15)19(2)20(3)18(14)16-12-8-5-9-13-16;1-5-6(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1