[(3S)-5-methyl-2-(4-methylphenyl)-3H-pyrazol-2-ium-3-yl] 3,4-dihydrothiophene-2-sulfonate

Systemtic Name: [(3S)-5-methyl-2-(4-methylphenyl)-3H-pyrazol-2-ium-3-yl] 3,4-dihydrothiophene-2-sulfonate Openeye Name: [(3S)-5-methyl-2-(p-tolyl)-3H-pyrazol-2-ium-3-yl] 3,4-dihydrothiophene-2-sulfonate CAS Name: 3,4-dihydrothiophene-2-sulfonic acid [(3S)-5-methyl-2-(4-methylphenyl)-3H-pyrazol-2-ium-3-yl] ester IUPAC Name: [(3S)-5-methyl-2-(4-methylphenyl)-3H-pyrazol-2-ium-3-yl] 3,4-dihydrothiophene-2-sulfonate Traditional Name: 3,4-dihydrothiophene-2-sulfonic acid [(3S)-5-methyl-2-(p-tolyl)-3H-pyrazol-2-ium-3-yl] ester Formula: C15H17N2O3S2+ MolecularWeight: 337.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NC(=CC2OS(=O)(=O)C3=S=CCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NC(=C[C@@H]2OS(=O)(=O)C3=S=CCC3)C

InChI

InChI=1S/C15H17N2O3S2/c1-11-5-7-13(8-6-11)17-14(10-12(2)16-17)20-22(18,19)15-4-3-9-21-15/h5-10,14H,3-4H2,1-2H3/q+1/t14-/m0/s1