1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium tosylate Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N2.C7H8O3S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1