2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H21F3N3S+ MolecularWeight: 404.47175

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3S/c22-21(23,24)17-7-4-8-19(13-17)27-11-9-26(10-12-27)14-18-15-28-20(25-18)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2/p+1