methanesulfonate; 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanone

Systemtic Name: methanesulfonate; 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanone Openeye Name: methanesulfonate; 2-(4-methylthiazol-3-ium-3-yl)-1-phenyl-ethanone CAS Name: methanesulfonate; 2-(4-methyl-3-thiazol-3-iumyl)-1-phenylethanone IUPAC Name: methanesulfonate; 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone Traditional Name: 2-(4-methylthiazol-3-ium-3-yl)-1-phenyl-ethanone mesylate Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=[N+]1CC(=O)C2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CSC=[N+]1CC(=O)C2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H12NOS.CH4O3S/c1-10-8-15-9-13(10)7-12(14)11-5-3-2-4-6-11;1-5(2,3)4/h2-6,8-9H,7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1