2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-m-anisyl-acetamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-26-19-4-2-3-16(13-19)14-22-20(25)15-23-9-11-24(12-10-23)18-7-5-17(21)6-8-18/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1