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

Systemtic Name: 2-methyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2-methyl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoate CAS Name: 2-methyl-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 2-methyl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2-methyl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionate Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-13(2,12(17)18)16-9-7-15(8-10-16)11-5-3-4-6-14-11/h3-6H,7-10H2,1-2H3,(H,17,18)