2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(1-oxo-2-phenoxyethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)COC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c17-13(11-20-12-4-2-1-3-5-12)16-8-6-15(7-9-16)10-14(18)19/h1-5H,6-11H2,(H,18,19)