sodium; 4,5-dimethyl-2-(methylamino)-1-phenyl-pyrazol-3-one; methanesulfonate

Systemtic Name: sodium; 4,5-dimethyl-2-(methylamino)-1-phenyl-pyrazol-3-one; methanesulfonate Openeye Name: sodium; 4,5-dimethyl-2-(methylamino)-1-phenyl-pyrazol-3-one; methanesulfonate CAS Name: sodium; 4,5-dimethyl-2-(methylamino)-1-phenyl-3-pyrazolone; methanesulfonate IUPAC Name: sodium; 4,5-dimethyl-2-(methylamino)-1-phenylpyrazol-3-one; methanesulfonate Traditional Name: sodium 4,5-dimethyl-2-(methylamino)-1-phenyl-3-pyrazolin-3-one mesylate Formula: C13H18N3NaO4S MolecularWeight: 335.35449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)NC)C2=CC=CC=C2)C.CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N(N(C1=O)NC)C2=CC=CC=C2)C.CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H15N3O.CH4O3S.Na/c1-9-10(2)14(15(13-3)12(9)16)11-7-5-4-6-8-11;1-5(2,3)4;/h4-8,13H,1-3H3;1H3,(H,2,3,4);/q;;+1/p-1