2-[2-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: 2-[2-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[4-(3-cyano-2-pyridin-1-iumyl)-1-piperazinyl]-2-oxoethoxy]acetate IUPAC Name: 2-[2-[4-(3-cyanopyridin-1-ium-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate Traditional Name: 2-[2-[4-(3-cyanopyridin-1-ium-2-yl)piperazino]-2-keto-ethoxy]acetate Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4/c15-8-11-2-1-3-16-14(11)18-6-4-17(5-7-18)12(19)9-22-10-13(20)21/h1-3H,4-7,9-10H2,(H,20,21)