(2S)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-(4-nicotinoylpiperazin-1-ium-1-yl)propionate Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-10(13(18)19)15-5-7-16(8-6-15)12(17)11-3-2-4-14-9-11/h2-4,9-10H,5-8H2,1H3,(H,18,19)/t10-/m0/s1