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

Systemtic Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-pyrazinyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: pyrazin-2-yl-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C17H18F3N4O+ MolecularWeight: 351.34623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H17F3N4O/c18-17(19,20)14-3-1-13(2-4-14)12-23-7-9-24(10-8-23)16(25)15-11-21-5-6-22-15/h1-6,11H,7-10,12H2/p+1