2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27FN3O+ MolecularWeight: 308.414183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26FN3O/c1-13(2)14(3)19-17(22)12-20-8-10-21(11-9-20)16-6-4-15(18)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1