2-[4-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[2-[(2-fluorophenyl)methylthio]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-[(2-fluorobenzyl)thio]benzoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C24H29FN3O3S+ MolecularWeight: 458.568763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4F

InChI

InChI=1S/C24H28FN3O3S/c25-21-7-3-1-5-19(21)18-32-22-8-4-2-6-20(22)24(30)28-11-9-26(10-12-28)17-23(29)27-13-15-31-16-14-27/h1-8H,9-18H2/p+1