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

Systemtic Name: 3-[4-(2-fluoranyl-4-propanoyl-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2-fluoro-4-propanoyl-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[2-fluoro-4-(1-oxopropyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2-fluoro-4-propionyl-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C16H21FN3O+ MolecularWeight: 290.355843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O/c1-2-16(21)13-4-5-15(14(17)12-13)20-10-8-19(9-11-20)7-3-6-18/h4-5,12H,2-3,7-11H2,1H3/p+1