5-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentanoate

Systemtic Name: 5-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentanoate Openeye Name: 5-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentanoate CAS Name: 5-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 5-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentanoate Traditional Name: 5-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]valerate Formula: C13H20N4O2 MolecularWeight: 264.3235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2/c18-12(19)4-1-2-7-16-8-10-17(11-9-16)13-14-5-3-6-15-13/h3,5-6H,1-2,4,7-11H2,(H,18,19)