(2R)-4-oxidanylidene-2-piperazin-1-ium-1-yl-4-(pyridin-3-ylamino)butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-piperazin-1-ium-1-yl-4-(pyridin-3-ylamino)butanoate Openeye Name: (2R)-4-oxo-2-piperazin-1-ium-1-yl-4-(3-pyridylamino)butanoate CAS Name: (2R)-4-oxo-2-(1-piperazin-1-iumyl)-4-(3-pyridinylamino)butanoate IUPAC Name: (2R)-4-oxo-2-piperazin-1-ium-1-yl-4-(pyridin-3-ylamino)butanoate Traditional Name: (2R)-4-keto-2-piperazin-1-ium-1-yl-4-(3-pyridylamino)butyrate Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c18-12(16-10-2-1-3-15-9-10)8-11(13(19)20)17-6-4-14-5-7-17/h1-3,9,11,14H,4-8H2,(H,16,18)(H,19,20)/t11-/m1/s1