2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C16H22FN4O+ MolecularWeight: 305.370483

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C16H21FN4O/c1-2-6-19-16(22)12-20-7-9-21(10-8-20)15-5-3-4-14(17)13(15)11-18/h3-5H,2,6-10,12H2,1H3,(H,19,22)/p+1