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

Systemtic Name: 1-(3-phenyl-1,2-oxazol-5-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3-phenylisoxazol-5-yl)-2-thiazol-3-ium-3-yl-ethanone bromide CAS Name: 1-(3-phenyl-5-isoxazolyl)-2-(3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3-phenyl-1,2-oxazol-5-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3-phenylisoxazol-5-yl)-2-thiazol-3-ium-3-yl-ethanone bromide Formula: C14H11BrN2O2S MolecularWeight: 351.21834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C14H11N2O2S.BrH/c17-13(9-16-6-7-19-10-16)14-8-12(15-18-14)11-4-2-1-3-5-11;/h1-8,10H,9H2;1H/q+1;/p-1