2-[2-methyl-2-phenyl-1-piperazin-1-yl-3-[2,2,2-tris(fluoranyl)ethylamino]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-methyl-2-phenyl-1-piperazin-1-yl-3-[2,2,2-tris(fluoranyl)ethylamino]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-methyl-2-phenyl-1-piperazin-1-yl-3-(2,2,2-trifluoroethylamino)piperidin-1-ium-1-yl]acetate CAS Name: 2-[2-methyl-2-phenyl-1-(1-piperazinyl)-3-(2,2,2-trifluoroethylamino)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[2-methyl-2-phenyl-1-piperazin-1-yl-3-(2,2,2-trifluoroethylamino)piperidin-1-ium-1-yl]acetate Traditional Name: 2-[2-methyl-2-phenyl-1-piperazino-3-(2,2,2-trifluoroethylamino)piperidin-1-ium-1-yl]acetate Formula: C20H29F3N4O2 MolecularWeight: 414.46507

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC[N+]1(CC(=O)[O-])N2CCNCC2)NCC(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1(C(CCC[N+]1(CC(=O)[O-])N2CCNCC2)NCC(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H29F3N4O2/c1-19(16-6-3-2-4-7-16)17(25-15-20(21,22)23)8-5-13-27(19,14-18(28)29)26-11-9-24-10-12-26/h2-4,6-7,17,24-25H,5,8-15H2,1H3