[2,3-dimethyl-4-(methylamino)-5-oxidanylidene-1-phenyl-pyrazol-1-ium-1-yl]methanesulfonic acid

Systemtic Name: [2,3-dimethyl-4-(methylamino)-5-oxidanylidene-1-phenyl-pyrazol-1-ium-1-yl]methanesulfonic acid Openeye Name: [2,3-dimethyl-4-(methylamino)-5-oxo-1-phenyl-pyrazol-1-ium-1-yl]methanesulfonic acid CAS Name: [2,3-dimethyl-4-(methylamino)-5-oxo-1-phenyl-1-pyrazol-1-iumyl]methanesulfonic acid IUPAC Name: [2,3-dimethyl-4-(methylamino)-5-oxo-1-phenylpyrazol-1-ium-1-yl]methanesulfonic acid Traditional Name: [5-keto-2,3-dimethyl-4-(methylamino)-1-phenyl-3-pyrazolin-1-ium-1-yl]methanesulfonic acid Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+](N1C)(CS(=O)(=O)O)C2=CC=CC=C2)NC

Isomeric SMILES

CC1=C(C(=O)[N+](N1C)(CS(=O)(=O)O)C2=CC=CC=C2)NC

InChI

InChI=1S/C13H17N3O4S/c1-10-12(14-2)13(17)16(15(10)3,9-21(18,19)20)11-7-5-4-6-8-11/h4-8,14H,9H2,1-3H3/p+1