1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]azetidin-1-yl]ethanone

Systemtic Name: 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]azetidin-1-yl]ethanone Openeye Name: 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]azetidin-1-yl]ethanone CAS Name: 1-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-azetidinyl]ethanone IUPAC Name: 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]azetidin-1-yl]ethanone Traditional Name: 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]azetidin-1-yl]ethanone Formula: C16H21F3N3O+ MolecularWeight: 328.35265

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)N1CC(C1)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H20F3N3O/c1-12(23)22-10-15(11-22)21-7-5-20(6-8-21)14-4-2-3-13(9-14)16(17,18)19/h2-4,9,15H,5-8,10-11H2,1H3/p+1