[(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] 3-chloranylbenzoate

Systemtic Name: [(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] 3-chloranylbenzoate Openeye Name: [(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2R)-1,1,1-trifluoro-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1,1,1-trifluoro-3-piperidin-1-ium-1-ylpropan-2-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester Formula: C15H18ClF3NO2+ MolecularWeight: 336.75713

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C(F)(F)F)OC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C(F)(F)F)OC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H17ClF3NO2/c16-12-6-4-5-11(9-12)14(21)22-13(15(17,18)19)10-20-7-2-1-3-8-20/h4-6,9,13H,1-3,7-8,10H2/p+1/t13-/m1/s1