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

Systemtic Name: (2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionate Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-10(12(16)17)14-6-8-15(9-7-14)11-4-2-3-5-13-11/h2-5,10H,6-9H2,1H3,(H,16,17)/t10-/m0/s1