[(1S)-1-[5-fluoranyl-2-(3-oxidanylidenepiperazin-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-fluoranyl-2-(3-oxidanylidenepiperazin-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[5-fluoro-2-(3-oxopiperazin-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[5-fluoro-2-(3-oxo-1-piperazinyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-fluoro-2-(3-oxopiperazin-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[5-fluoro-2-(3-ketopiperazino)phenyl]ethyl]ammonium Formula: C12H17FN3O+ MolecularWeight: 238.281283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)F)N2CCNC(=O)C2)[NH3+]

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)F)N2CCNC(=O)C2)[NH3+]

InChI

InChI=1S/C12H16FN3O/c1-8(14)10-6-9(13)2-3-11(10)16-5-4-15-12(17)7-16/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,17)/p+1/t8-/m0/s1