methanesulfonate; methyl 5-fluoranyl-1,2-dimethyl-indazol-2-ium-3-carboxylate

Systemtic Name: methanesulfonate; methyl 5-fluoranyl-1,2-dimethyl-indazol-2-ium-3-carboxylate Openeye Name: methanesulfonate; methyl 5-fluoro-1,2-dimethyl-indazol-2-ium-3-carboxylate CAS Name: 5-fluoro-1,2-dimethyl-3-indazol-2-iumcarboxylic acid methyl ester; methanesulfonate IUPAC Name: methanesulfonate; methyl 5-fluoro-1,2-dimethylindazol-2-ium-3-carboxylate Traditional Name: 5-fluoro-1,2-dimethyl-indazol-2-ium-3-carboxylic acid methyl ester mesylate Formula: C12H15FN2O5S MolecularWeight: 318.321303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C(=[N+]1C)C(=O)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C(=[N+]1C)C(=O)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H12FN2O2.CH4O3S/c1-13-9-5-4-7(12)6-8(9)10(14(13)2)11(15)16-3;1-5(2,3)4/h4-6H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1