(5-ethyl-2-methyl-4-phenyl-2-pyridin-2-yl-pyrazol-2-ium-3-yl) 3-chloranylbenzenesulfonate

Systemtic Name: (5-ethyl-2-methyl-4-phenyl-2-pyridin-2-yl-pyrazol-2-ium-3-yl) 3-chloranylbenzenesulfonate Openeye Name: [5-ethyl-2-methyl-4-phenyl-2-(2-pyridyl)pyrazol-2-ium-3-yl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [5-ethyl-2-methyl-4-phenyl-2-(2-pyridinyl)-3-pyrazol-2-iumyl] ester IUPAC Name: (5-ethyl-2-methyl-4-phenyl-2-pyridin-2-ylpyrazol-2-ium-3-yl) 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [5-ethyl-2-methyl-4-phenyl-2-(2-pyridyl)pyrazol-2-ium-3-yl] ester Formula: C23H21ClN3O3S+ MolecularWeight: 454.94914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](C(=C1C2=CC=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Cl)(C)C4=CC=CC=N4

Isomeric SMILES

CCC1=N[N+](C(=C1C2=CC=CC=C2)OS(=O)(=O)C3=CC(=CC=C3)Cl)(C)C4=CC=CC=N4

InChI

InChI=1S/C23H21ClN3O3S/c1-3-20-22(17-10-5-4-6-11-17)23(27(2,26-20)21-14-7-8-15-25-21)30-31(28,29)19-13-9-12-18(24)16-19/h4-16H,3H2,1-2H3/q+1