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

Systemtic Name: (2R)-4-[[2,4-bis(fluoranyl)phenyl]amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,4-difluoroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,4-difluoroanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H18F2N2O3 MolecularWeight: 312.311826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)[O-]

InChI

InChI=1S/C15H18F2N2O3/c16-10-4-5-12(11(17)8-10)18-14(20)9-13(15(21)22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)(H,21,22)/t13-/m1/s1