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

Systemtic Name: 3-fluoranyl-4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[(3-oxo-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(3-ketopiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C12H13FN3O+ MolecularWeight: 234.249523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3O/c13-11-5-9(6-14)1-2-10(11)7-16-4-3-15-12(17)8-16/h1-2,5H,3-4,7-8H2,(H,15,17)/p+1