2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone bromide Formula: C16H16BrNOS2 MolecularWeight: 382.33834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)C[N+]3=CSC(=C3C)C.[Br-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)C[N+]3=CSC(=C3C)C.[Br-]

InChI

InChI=1S/C16H16NOS2.BrH/c1-10-13-6-4-5-7-15(13)20-16(10)14(18)8-17-9-19-12(3)11(17)2;/h4-7,9H,8H2,1-3H3;1H/q+1;/p-1