2-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-fluoranyl-4-[(1S)-1-oxidanylethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)F)O

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)F)O

InChI

InChI=1S/C20H24FN3O2/c1-15(25)16-7-8-19(18(21)13-16)24-11-9-23(10-12-24)14-20(26)22-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)/p+1/t15-/m0/s1