2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-tert-amyl-acetamide Formula: C19H29FN3O2+ MolecularWeight: 350.450863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C19H28FN3O2/c1-5-19(3,4)21-18(25)13-22-8-10-23(11-9-22)17-7-6-15(14(2)24)12-16(17)20/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,25)/p+1