(phenylmethyl) 2-[(2R)-1-ethyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2R)-1-ethyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: benzyl 2-[(2R)-1-ethyl-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-ethyl-3-oxo-2-piperazin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R)-1-ethyl-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-ethyl-3-keto-piperazin-1-ium-2-yl]acetic acid benzyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-2-17-9-8-16-15(19)13(17)10-14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,19)/p+1/t13-/m1/s1