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

Systemtic Name: 4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-[4-(trifluoromethyl)phenyl]-4-thiazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C15H15F3N3OS+ MolecularWeight: 342.35931

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H14F3N3OS/c16-15(17,18)11-3-1-10(2-4-11)14-20-12(9-23-14)7-21-6-5-19-13(22)8-21/h1-4,9H,5-8H2,(H,19,22)/p+1