1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b][1,3]thiazole-4,7-diium-7-yl]ethanone bromide

Systemtic Name: 1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b][1,3]thiazole-4,7-diium-7-yl]ethanone bromide Openeye Name: 1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b]thiazole-4,7-diium-7-yl]ethanone bromide CAS Name: 1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b]thiazole-4,7-diium-7-yl]ethanone bromide IUPAC Name: 1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b][1,3]thiazole-4,7-diium-7-yl]ethanone bromide Traditional Name: 1-[3-(4-nitrophenyl)-5,6-dihydro-4H-imidazo[2,1-b]thiazole-4,7-diium-7-yl]ethanone bromide Formula: C13H13BrN3O3S+ MolecularWeight: 371.22962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1=C2[NH+](CC1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(=O)[N+]1=C2[NH+](CC1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H12N3O3S.BrH/c1-9(17)14-6-7-15-12(8-20-13(14)15)10-2-4-11(5-3-10)16(18)19;/h2-5,8H,6-7H2,1H3;1H/q+1;