2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]ethanoate

Systemtic Name: 2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]ethanoate Openeye Name: 2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]amino]acetate IUPAC Name: 2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-pyridin-1-ium-2-ylpiperazino)propanoylamino]acetate Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NCC(=O)[O-])C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CCC(=O)NCC(=O)[O-])C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H20N4O3/c19-13(16-11-14(20)21)4-6-17-7-9-18(10-8-17)12-3-1-2-5-15-12/h1-3,5H,4,6-11H2,(H,16,19)(H,20,21)