ethyl (2R)-2-[(2-ethoxyphenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate

Systemtic Name: ethyl (2R)-2-[(2-ethoxyphenyl)carbonylamino]-3,3,3-tris(fluoranyl)-2-(pyridin-1-ium-2-ylamino)propanoate Openeye Name: ethyl (2R)-2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate CAS Name: (2R)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3,3,3-trifluoro-2-(2-pyridin-1-iumylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propanoate Traditional Name: (2R)-2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-(pyridin-1-ium-2-ylamino)propionic acid ethyl ester Formula: C19H21F3N3O4+ MolecularWeight: 412.38295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(=O)OCC)(C(F)(F)F)NC2=CC=CC=[NH+]2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@](C(=O)OCC)(C(F)(F)F)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C19H20F3N3O4/c1-3-28-14-10-6-5-9-13(14)16(26)25-18(19(20,21)22,17(27)29-4-2)24-15-11-7-8-12-23-15/h5-12H,3-4H2,1-2H3,(H,23,24)(H,25,26)/p+1/t18-/m1/s1