[4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]methylazanium Openeye Name: [4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [4-fluoro-3-[(3-oxo-1-piperazin-1-iumyl)methyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [4-fluoro-3-[(3-ketopiperazin-1-ium-1-yl)methyl]benzyl]ammonium Formula: C12H18FN3O+2 MolecularWeight: 239.289223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(C=CC(=C2)C[NH3+])F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(C=CC(=C2)C[NH3+])F

InChI

InChI=1S/C12H16FN3O/c13-11-2-1-9(6-14)5-10(11)7-16-4-3-15-12(17)8-16/h1-2,5H,3-4,6-8,14H2,(H,15,17)/p+2