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

Systemtic Name: methanesulfonate; 1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone Openeye Name: methanesulfonate; 1-phenyl-2-thiazol-3-ium-3-yl-ethanone CAS Name: methanesulfonate; 1-phenyl-2-(3-thiazol-3-iumyl)ethanone IUPAC Name: methanesulfonate; 1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone Traditional Name: 1-phenyl-2-thiazol-3-ium-3-yl-ethanone mesylate Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2

InChI

InChI=1S/C11H10NOS.CH4O3S/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10;1-5(2,3)4/h1-7,9H,8H2;1H3,(H,2,3,4)/q+1;/p-1