ethyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-piperidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2S)-2-benzamido-3,3,3-tris(fluoranyl)-2-piperidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-piperidin-1-ium-1-yl-propanoate CAS Name: (2S)-2-benzamido-3,3,3-trifluoro-2-(1-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-piperidin-1-ium-1-ylpropanoate Traditional Name: (2S)-2-benzamido-3,3,3-trifluoro-2-piperidin-1-ium-1-yl-propionic acid ethyl ester Formula: C17H22F3N2O3+ MolecularWeight: 359.36339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)C1=CC=CC=C1)[NH+]2CCCCC2

InChI

InChI=1S/C17H21F3N2O3/c1-2-25-15(24)16(17(18,19)20,22-11-7-4-8-12-22)21-14(23)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,21,23)/p+1/t16-/m0/s1