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

Systemtic Name: 2-[4-[(5-cyano-2-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-[(5-cyano-2-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-[(5-cyano-2-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(5-cyano-2-fluoro-benzyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C18H26FN4O+ MolecularWeight: 333.423643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C18H25FN4O/c1-14(2)11-21-18(24)13-23-7-5-22(6-8-23)12-16-9-15(10-20)3-4-17(16)19/h3-4,9,14H,5-8,11-13H2,1-2H3,(H,21,24)/p+1