N-ethyl-N-(4-fluorophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-(4-fluorophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-ethyl-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-2-25(19-10-8-18(22)9-11-19)20(26)16-23-12-14-24(15-13-23)21(27)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/p+1