2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone bromide Openeye Name: 2-(2-aminothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-thiazol-3-iumyl)-1-(4-ethoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-1,3-thiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone bromide Traditional Name: 2-(2-aminothiazol-3-ium-3-yl)-1-p-phenetyl-ethanone bromide Formula: C13H15BrN2O2S MolecularWeight: 343.2394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(SC=C2)N.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(SC=C2)N.[Br-]

InChI

InChI=1S/C13H14N2O2S.BrH/c1-2-17-11-5-3-10(4-6-11)12(16)9-15-7-8-18-13(15)14;/h3-8,14H,2,9H2,1H3;1H