2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone; methanesulfonate

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone; methanesulfonate Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-ethanone; methanesulfonate CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-phenylethanone; methanesulfonate IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone; methanesulfonate Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-ethanone mesylate Formula: C15H19NO5S2 MolecularWeight: 357.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16NO2S.CH4O3S/c1-11-14(7-8-16)18-10-15(11)9-13(17)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,10,16H,7-9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1