3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C15H19FN3O+ MolecularWeight: 276.329263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC#N)F

InChI

InChI=1S/C15H18FN3O/c1-12(20)13-3-4-15(14(16)11-13)19-9-7-18(8-10-19)6-2-5-17/h3-4,11H,2,6-10H2,1H3/p+1