(2R)-2-(dimethylazaniumyl)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-(3-fluoroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(dimethylammonio)-4-(3-fluoroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(dimethylazaniumyl)-4-(3-fluoroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(dimethylammonio)-4-(3-fluoroanilino)-4-keto-butyrate Formula: C12H15FN2O3 MolecularWeight: 254.257503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC(=O)NC1=CC(=CC=C1)F)C(=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC(=O)NC1=CC(=CC=C1)F)C(=O)[O-]

InChI

InChI=1S/C12H15FN2O3/c1-15(2)10(12(17)18)7-11(16)14-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1