1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Formula: C19H25F3N3O2+ MolecularWeight: 384.41591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N3O2/c20-19(21,22)16-5-3-4-15(12-16)13-17(26)25-10-8-23(9-11-25)14-18(27)24-6-1-2-7-24/h3-5,12H,1-2,6-11,13-14H2/p+1