2-[(2S)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2S)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2S)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=CN=CC=C2

Isomeric SMILES

C1C[NH+]([C@H](C(=O)N1)CC(=O)[O-])CC2=CN=CC=C2

InChI

InChI=1S/C12H15N3O3/c16-11(17)6-10-12(18)14-4-5-15(10)8-9-2-1-3-13-7-9/h1-3,7,10H,4-6,8H2,(H,14,18)(H,16,17)/t10-/m0/s1