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

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-piperazine-1,4-diium-1-yl-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-4-oxo-2-piperazine-1,4-diium-1-yl-butanoate CAS Name: (2R)-4-(2-bromoanilino)-4-oxo-2-(1-piperazine-1,4-diiumyl)butanoate IUPAC Name: (2R)-4-(2-bromoanilino)-4-oxo-2-piperazine-1,4-diium-1-ylbutanoate Traditional Name: (2R)-4-(2-bromoanilino)-4-keto-2-piperazine-1,4-diium-1-yl-butyrate Formula: C14H19BrN3O3+ MolecularWeight: 357.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C(CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)[C@H](CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

InChI

InChI=1S/C14H18BrN3O3/c15-10-3-1-2-4-11(10)17-13(19)9-12(14(20)21)18-7-5-16-6-8-18/h1-4,12,16H,5-9H2,(H,17,19)(H,20,21)/p+1/t12-/m1/s1