2-(4-piperazin-4-ium-1-ylphenoxy)ethanoate

Systemtic Name: 2-(4-piperazin-4-ium-1-ylphenoxy)ethanoate Openeye Name: 2-(4-piperazin-4-ium-1-ylphenoxy)acetate CAS Name: 2-[4-(1-piperazin-4-iumyl)phenoxy]acetate IUPAC Name: 2-(4-piperazin-4-ium-1-ylphenoxy)acetate Traditional Name: 2-(4-piperazin-4-ium-1-ylphenoxy)acetate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C12H16N2O3/c15-12(16)9-17-11-3-1-10(2-4-11)14-7-5-13-6-8-14/h1-4,13H,5-9H2,(H,15,16)