3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionate Formula: C11H16N4O2 MolecularWeight: 236.27034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O2/c16-10(17)2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-9H2,(H,16,17)