methyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate

Systemtic Name: methyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate Openeye Name: methyl (2S)-2-benzamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate CAS Name: (2S)-2-benzamido-3,3,3-trifluoro-2-(2-pyridin-1-iumylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate Traditional Name: (2S)-2-benzamido-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propionic acid methyl ester Formula: C16H15F3N3O3+ MolecularWeight: 354.30381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)(NC1=CC=CC=[NH+]1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@](C(F)(F)F)(NC1=CC=CC=[NH+]1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14F3N3O3/c1-25-14(24)15(16(17,18)19,21-12-9-5-6-10-20-12)22-13(23)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21)(H,22,23)/p+1/t15-/m0/s1