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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c18-14(11-13-15(19)17-9-8-16-13)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,17,19)/p+1/t13-/m1/s1