2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]ethanoate

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]ethanoate Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]amino]acetate IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoylamino]acetate Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propanoylamino]acetate Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NCC(=O)[O-])C2=NC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NCC(=O)[O-])C2=NC=CC=N2

InChI

InChI=1S/C13H19N5O3/c19-11(16-10-12(20)21)2-5-17-6-8-18(9-7-17)13-14-3-1-4-15-13/h1,3-4H,2,5-10H2,(H,16,19)(H,20,21)