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

Systemtic Name: 2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 2-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2/c1-12(2,10(17)18)16-8-6-15(7-9-16)11-13-4-3-5-14-11/h3-5H,6-9H2,1-2H3,(H,17,18)