1-(3-methoxyphenyl)-2-(3-methyl-2-propan-2-ylsulfanyl-imidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-methoxyphenyl)-2-(3-methyl-2-propan-2-ylsulfanyl-imidazol-3-ium-1-yl)ethanone bromide Openeye Name: 2-(2-isopropylsulfanyl-3-methyl-imidazol-3-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-[3-methyl-2-(propan-2-ylthio)-1-imidazol-3-iumyl]ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(3-methyl-2-propan-2-ylsulfanylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 2-[2-(isopropylthio)-3-methyl-imidazol-3-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[N+](C=CN1CC(=O)C2=CC(=CC=C2)OC)C.[Br-]

Isomeric SMILES

CC(C)SC1=[N+](C=CN1CC(=O)C2=CC(=CC=C2)OC)C.[Br-]

InChI

InChI=1S/C16H21N2O2S.BrH/c1-12(2)21-16-17(3)8-9-18(16)11-15(19)13-6-5-7-14(10-13)20-4;/h5-10,12H,11H2,1-4H3;1H/q+1;/p-1