1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide Formula: C13H15BrN2O2S MolecularWeight: 343.2394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C13H14N2O2S.BrH/c1-15-8-7-14-13(15)18-9-12(16)10-3-5-11(17-2)6-4-10;/h3-8H,9H2,1-2H3;1H