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

Systemtic Name: (phenylmethyl) 2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoate Openeye Name: benzyl 2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetic acid benzyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12(2)18-9-8-17-16(20)14(18)10-15(19)21-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)/p+1/t14-/m1/s1