[(1S)-1-[2-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(4-acetylpiperazin-1-yl)-6-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(4-acetyl-1-piperazinyl)-6-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(4-acetylpiperazin-1-yl)-6-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(4-acetylpiperazino)-6-fluoro-phenyl]ethyl]ammonium Formula: C14H21FN3O+ MolecularWeight: 266.334443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)N2CCN(CC2)C(=O)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)N2CCN(CC2)C(=O)C)[NH3+]

InChI

InChI=1S/C14H20FN3O/c1-10(16)14-12(15)4-3-5-13(14)18-8-6-17(7-9-18)11(2)19/h3-5,10H,6-9,16H2,1-2H3/p+1/t10-/m0/s1