ethyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-morpholin-4-ium-4-yl-propanoate

Systemtic Name: ethyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-morpholin-4-ium-4-yl-propanoate CAS Name: (2S)-2-benzamido-3,3,3-trifluoro-2-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-morpholin-4-ium-4-ylpropanoate Traditional Name: (2S)-2-benzamido-3,3,3-trifluoro-2-morpholin-4-ium-4-yl-propionic acid ethyl ester Formula: C16H20F3N2O4+ MolecularWeight: 361.33621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)C1=CC=CC=C1)[NH+]2CCOCC2

InChI

InChI=1S/C16H19F3N2O4/c1-2-25-14(23)15(16(17,18)19,21-8-10-24-11-9-21)20-13(22)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,20,22)/p+1/t15-/m0/s1