thiophen-2-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: thiophen-2-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-thienyl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: thiophen-2-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: thiophen-2-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-thienyl-[4-[2-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C17H18F3N2OS+ MolecularWeight: 355.39783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H17F3N2OS/c18-17(19,20)14-5-2-1-4-13(14)12-21-7-9-22(10-8-21)16(23)15-6-3-11-24-15/h1-6,11H,7-10,12H2/p+1