2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanone; methanesulfonate

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanone; methanesulfonate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanone; methanesulfonate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenylethanone; methanesulfonate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone; methanesulfonate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanone mesylate Formula: C14H17NO4S2 MolecularWeight: 327.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NOS.CH4O3S/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;1-5(2,3)4/h3-7,9H,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1