(2R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(3-fluoroanilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C14H19FN3O3+ MolecularWeight: 296.317363

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C(CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)[C@H](CC(=O)NC2=CC(=CC=C2)F)C(=O)[O-]

InChI

InChI=1S/C14H18FN3O3/c15-10-2-1-3-11(8-10)17-13(19)9-12(14(20)21)18-6-4-16-5-7-18/h1-3,8,12,16H,4-7,9H2,(H,17,19)(H,20,21)/p+1/t12-/m1/s1