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

Systemtic Name: 2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanoate Openeye Name: 2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)acetate CAS Name: 2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]acetate IUPAC Name: 2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)acetate Traditional Name: 2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)acetate Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(=O)[O-]

InChI

InChI=1S/C11H13N3O3/c15-10(11(16)17)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2,(H,16,17)