ethyl 2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C15H19ClFN2O3+ MolecularWeight: 329.774363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C15H18ClFN2O3/c1-2-22-14(20)8-13-15(21)18-5-6-19(13)9-10-3-4-11(16)12(17)7-10/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,18,21)/p+1