3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenyl-pyrazol-1-ium sulfate

Systemtic Name: 3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenyl-pyrazol-1-ium sulfate Openeye Name: 3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenyl-pyrazol-1-ium sulfate CAS Name: 3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenylpyrazol-1-ium sulfate IUPAC Name: 3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenylpyrazol-1-ium sulfate Traditional Name: 3-(4-fluorophenyl)-4-methoxy-1,2-dimethyl-5-phenyl-pyrazol-1-ium sulfate Formula: C18H18FN2O5S- MolecularWeight: 393.409323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN2O.H2O4S/c1-20-16(13-7-5-4-6-8-13)18(22-3)17(21(20)2)14-9-11-15(19)12-10-14;1-5(2,3)4/h4-12H,1-3H3;(H2,1,2,3,4)/q+1;/p-2