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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(4-iodophenyl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(4-iodophenyl)ethanone bromide Formula: C14H15BrINO2S MolecularWeight: 468.14787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15INO2S.BrH/c1-10-14(6-7-17)19-9-16(10)8-13(18)11-2-4-12(15)5-3-11;/h2-5,9,17H,6-8H2,1H3;1H/q+1;/p-1