(2R)-4-[(3-fluorophenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-2-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (2R)-4-(3-fluoroanilino)-2-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (2R)-4-(3-fluoroanilino)-4-keto-2-morpholin-4-ium-4-yl-butyrate Formula: C14H17FN2O4 MolecularWeight: 296.294183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H](CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

InChI

InChI=1S/C14H17FN2O4/c15-10-2-1-3-11(8-10)16-13(18)9-12(14(19)20)17-4-6-21-7-5-17/h1-3,8,12H,4-7,9H2,(H,16,18)(H,19,20)/t12-/m1/s1