2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C2=CC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C2=CC=CC=N2

InChI

InChI=1S/C11H15N3O2/c15-11(16)9-13-5-7-14(8-6-13)10-3-1-2-4-12-10/h1-4H,5-9H2,(H,15,16)