(2R)-4-[[2,4-bis(fluoranyl)phenyl]amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[[2,4-bis(fluoranyl)phenyl]amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,4-difluoroanilino)-4-keto-2-piperazin-1-ium-1-yl-butyrate Formula: C14H17F2N3O3 MolecularWeight: 313.299886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)C(CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN1)[C@H](CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)[O-]

InChI

InChI=1S/C14H17F2N3O3/c15-9-1-2-11(10(16)7-9)18-13(20)8-12(14(21)22)19-5-3-17-4-6-19/h1-2,7,12,17H,3-6,8H2,(H,18,20)(H,21,22)/t12-/m1/s1