4-[1,1-dimethyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-3-yl]pyridine

Systemtic Name: 4-[1,1-dimethyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-3-yl]pyridine Openeye Name: 4-[1,1-dimethyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-3-yl]pyridine CAS Name: 4-[1,1-dimethyl-4-(4-methylsulfonylphenyl)-3-pyrazol-1-iumyl]pyridine IUPAC Name: 4-[1,1-dimethyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-3-yl]pyridine Traditional Name: 4-[4-(4-mesylphenyl)-1,1-dimethyl-pyrazol-1-ium-3-yl]pyridine Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N3O2S/c1-20(2)12-16(17(19-20)14-8-10-18-11-9-14)13-4-6-15(7-5-13)23(3,21)22/h4-12H,1-3H3/q+1