2-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-4-(trifluoromethyl)-3H-1,3-thiazole bromide

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-4-(trifluoromethyl)-3H-1,3-thiazole bromide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-4-(trifluoromethyl)-3H-thiazole bromide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumylidene]-4-(trifluoromethyl)-3H-thiazole bromide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-4-(trifluoromethyl)-3H-1,3-thiazole bromide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]-4-(trifluoromethyl)-4-thiazoline bromide Formula: C15H17BrF3N3OS MolecularWeight: 424.27919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[N+](=C3NC(=CS3)C(F)(F)F)CC2.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[N+](=C3NC(=CS3)C(F)(F)F)CC2.[Br-]

InChI

InChI=1S/C15H16F3N3OS.BrH/c1-22-12-4-2-11(3-5-12)20-6-8-21(9-7-20)14-19-13(10-23-14)15(16,17)18;/h2-5,10H,6-9H2,1H3;1H