2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(3-phenylisoxazol-5-yl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(3-phenyl-5-isoxazolyl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(3-phenylisoxazol-5-yl)ethanone bromide Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C16H15N2O2S.BrH/c1-11-12(2)21-10-18(11)9-15(19)16-8-14(17-20-16)13-6-4-3-5-7-13;/h3-8,10H,9H2,1-2H3;1H/q+1;/p-1