2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: 2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-nicotinoylpiperazin-1-ium-1-yl)acetate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H15N3O3/c16-11(17)9-14-4-6-15(7-5-14)12(18)10-2-1-3-13-8-10/h1-3,8H,4-7,9H2,(H,16,17)