2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide CAS Name: N-[oxo-(2,2,2-trifluoroethylamino)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Formula: C18H25F3N4O2+2 MolecularWeight: 386.41191

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C18H23F3N4O2/c19-18(20,21)14-22-17(27)23-16(26)13-25-11-9-24(10-12-25)8-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H2,22,23,26,27)/p+2/b7-4+