(2R)-4-[[2,3-bis(chloranyl)phenyl]amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[[2,3-bis(chloranyl)phenyl]amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,3-dichloroanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,3-dichloroanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,3-dichloroanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,3-dichloroanilino)-4-keto-2-piperazin-1-ium-1-yl-butyrate Formula: C14H17Cl2N3O3 MolecularWeight: 346.20908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3O3/c15-9-2-1-3-10(13(9)16)18-12(20)8-11(14(21)22)19-6-4-17-5-7-19/h1-3,11,17H,4-8H2,(H,18,20)(H,21,22)/t11-/m1/s1