2-phenoxyethyl 2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-2-piperazin-1-iumyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetic acid 2-phenoxyethyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c17-13(10-12-14(18)16-7-6-15-12)20-9-8-19-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,18)/p+1/t12-/m1/s1