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

Systemtic Name: 2-[5-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[5-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide CAS Name: 2-[5-(1-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[5-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylethanone bromide Traditional Name: 2-[5-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide Formula: C14H16BrNO2S MolecularWeight: 342.25134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16NO2S.BrH/c1-10-14(11(2)16)18-9-15(10)8-13(17)12-6-4-3-5-7-12;/h3-7,9,11,16H,8H2,1-2H3;1H/q+1;/p-1