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

Systemtic Name: (2R)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(3,4-dichloroanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(3,4-dichloroanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(3,4-dichloroanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(3,4-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=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3O3/c15-10-2-1-9(7-11(10)16)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