methyl (2R)-2-acetamido-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate

Systemtic Name: methyl (2R)-2-acetamido-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate Openeye Name: methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate CAS Name: (2R)-2-acetamido-3,3,3-trifluoro-2-(2-pyridin-1-iumylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate Traditional Name: (2R)-2-acetamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propionic acid methyl ester Formula: C11H13F3N3O3+ MolecularWeight: 292.23443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC=[NH+]1

Isomeric SMILES

CC(=O)N[C@](C(=O)OC)(C(F)(F)F)NC1=CC=CC=[NH+]1

InChI

InChI=1S/C11H12F3N3O3/c1-7(18)16-10(9(19)20-2,11(12,13)14)17-8-5-3-4-6-15-8/h3-6H,1-2H3,(H,15,17)(H,16,18)/p+1/t10-/m0/s1