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

Systemtic Name: 2,2-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2,2-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 2,2-dimethyl-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 2,2-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2,2-dimethyl-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionate Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)C2=NC=CC=N2)C(=O)[O-]

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)C2=NC=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H20N4O2/c1-13(2,11(18)19)10-16-6-8-17(9-7-16)12-14-4-3-5-15-12/h3-5H,6-10H2,1-2H3,(H,18,19)