piperidin-1-ium-3-ylmethyl ethanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: piperidin-1-ium-3-ylmethyl ethanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: piperidin-1-ium-3-ylmethyl acetate; 2,2,2-trifluoroacetate CAS Name: acetic acid 3-piperidin-1-iumylmethyl ester; 2,2,2-trifluoroacetate IUPAC Name: piperidin-1-ium-3-ylmethyl acetate; 2,2,2-trifluoroacetate Traditional Name: acetic acid piperidin-1-ium-3-ylmethyl ester; 2,2,2-trifluoroacetate Formula: C10H16F3NO4 MolecularWeight: 271.23355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCC[NH2+]C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)OCC1CCC[NH2+]C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H15NO2.C2HF3O2/c1-7(10)11-6-8-3-2-4-9-5-8;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7)