propan-2-yl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridin-1-ium-3-carboxylic acid isopropyl ester Formula: C20H23F3N3O2+ MolecularWeight: 394.41073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c1-14(2)28-19(27)17-7-4-8-24-18(17)26-11-9-25(10-12-26)16-6-3-5-15(13-16)20(21,22)23/h3-8,13-14H,9-12H2,1-2H3/p+1