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

Systemtic Name: sodium; 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; methanesulfonate; hydrate Openeye Name: sodium; 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; methanesulfonate; hydrate CAS Name: sodium; 1,5-dimethyl-4-(methylamino)-2-phenyl-3-pyrazolone; methanesulfonate; hydrate IUPAC Name: sodium; 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one; methanesulfonate; hydrate Traditional Name: sodium 1,5-dimethyl-4-(methylamino)-2-phenyl-3-pyrazolin-3-one mesylate hydrate Formula: C13H20N3NaO5S MolecularWeight: 353.36977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O.CH4O3S.Na.H2O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10;1-5(2,3)4;;/h4-8,13H,1-3H3;1H3,(H,2,3,4);;1H2/q;;+1;/p-1