2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(4-methylthiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(4-methyl-3-thiazol-3-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(4-methylthiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N2O3S.BrH/c1-9-7-18-8-13(9)6-12(15)10-2-4-11(5-3-10)14(16)17;/h2-5,7-8H,6H2,1H3;1H/q+1;/p-1