4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 4-(4-nitrophenyl)thiazol-3-ium-2-amine bromide CAS Name: 4-(4-nitrophenyl)-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [4-(4-nitrophenyl)thiazol-3-ium-2-yl]amine bromide Formula: C9H8BrN3O2S MolecularWeight: 302.14772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=[NH+]2)N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=[NH+]2)N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C9H7N3O2S.BrH/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14;/h1-5H,(H2,10,11);1H