hydron; 4-methoxy-1,2-dimethyl-3-(3-methylphenyl)-5-phenyl-pyrazol-2-ium; sulfate

Systemtic Name: hydron; 4-methoxy-1,2-dimethyl-3-(3-methylphenyl)-5-phenyl-pyrazol-2-ium; sulfate Openeye Name: hydron; 4-methoxy-1,2-dimethyl-3-(m-tolyl)-5-phenyl-pyrazol-2-ium; sulfate CAS Name: hydron; 4-methoxy-1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazol-2-ium; sulfate IUPAC Name: hydron; 4-methoxy-1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazol-2-ium; sulfate Traditional Name: hydron; 4-methoxy-1,2-dimethyl-3-(m-tolyl)-5-phenyl-pyrazol-2-ium; sulfate Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=CC=CC(=C1)C2=[N+](N(C(=C2OC)C3=CC=CC=C3)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC1=CC=CC(=C1)C2=[N+](N(C(=C2OC)C3=CC=CC=C3)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H21N2O.H2O4S/c1-14-9-8-12-16(13-14)18-19(22-4)17(20(2)21(18)3)15-10-6-5-7-11-15;1-5(2,3)4/h5-13H,1-4H3;(H2,1,2,3,4)/q+1;/p-1