4-[1-methyl-3-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-yl]pyridine

Systemtic Name: 4-[1-methyl-3-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-yl]pyridine Openeye Name: 4-[1-methyl-3-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-yl]pyridine CAS Name: 4-[1-methyl-3-(4-methylsulfonylphenyl)-1-phenyl-4-pyrazol-1-iumyl]pyridine IUPAC Name: 4-[1-methyl-3-(4-methylsulfonylphenyl)-1-phenylpyrazol-1-ium-4-yl]pyridine Traditional Name: 4-[3-(4-mesylphenyl)-1-methyl-1-phenyl-pyrazol-1-ium-4-yl]pyridine Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N3O2S/c1-25(19-6-4-3-5-7-19)16-21(17-12-14-23-15-13-17)22(24-25)18-8-10-20(11-9-18)28(2,26)27/h3-16H,1-2H3/q+1