2-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[5-(hydroxymethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-ethanone chloride CAS Name: 2-[5-(hydroxymethyl)-4-methyl-3-thiazol-3-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone chloride Traditional Name: 2-(4-methyl-5-methylol-thiazol-3-ium-3-yl)-1-phenyl-ethanone chloride Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NO2S.ClH/c1-10-13(8-15)17-9-14(10)7-12(16)11-5-3-2-4-6-11;/h2-6,9,15H,7-8H2,1H3;1H/q+1;/p-1