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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenyl-propan-1-one bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-propan-1-one bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-phenyl-1-propanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-phenylpropan-1-one bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-phenyl-propan-1-one bromide Formula: C15H18BrNO2S MolecularWeight: 356.27792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO2S.BrH/c1-11-14(8-9-17)19-10-16(11)12(2)15(18)13-6-4-3-5-7-13;/h3-7,10,12,17H,8-9H2,1-2H3;1H/q+1;/p-1