2-[4-[2-(3-fluoranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(3-fluoranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-(3-fluorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H25FN3O3+ MolecularWeight: 338.397103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)F

InChI

InChI=1S/C17H24FN3O3/c1-13(2)19-16(22)11-20-6-8-21(9-7-20)17(23)12-24-15-5-3-4-14(18)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,22)/p+1