2-[4-[(5-cyano-2-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(5-cyano-2-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(5-cyano-2-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(5-cyano-2-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(5-cyano-2-fluoro-benzyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C17H22FN4O+ MolecularWeight: 317.381183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C17H21FN4O/c18-16-4-1-13(10-19)9-14(16)11-21-5-7-22(8-6-21)12-17(23)20-15-2-3-15/h1,4,9,15H,2-3,5-8,11-12H2,(H,20,23)/p+1