3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C21H31FN3O3+ MolecularWeight: 392.487543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O3/c1-15(26)14-21(3,4)23-20(28)7-8-24-9-11-25(12-10-24)19-6-5-17(16(2)27)13-18(19)22/h5-6,13H,7-12,14H2,1-4H3,(H,23,28)/p+1