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

Systemtic Name: 4-[1-methyl-4-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-3-yl]pyridine Openeye Name: 4-[1-methyl-4-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-3-yl]pyridine CAS Name: 4-[1-methyl-4-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazol-1-iumyl]pyridine IUPAC Name: 4-[1-methyl-4-(4-methylsulfonylphenyl)-1-phenylpyrazol-1-ium-3-yl]pyridine Traditional Name: 4-[4-(4-mesylphenyl)-1-methyl-1-phenyl-pyrazol-1-ium-3-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=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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