2-(4-fluoranylphenoxy)-N-[3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]ethanamide

Systemtic Name: 2-(4-fluoranylphenoxy)-N-[3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]ethanamide Openeye Name: 2-(4-fluorophenoxy)-N-[3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]acetamide CAS Name: 2-(4-fluorophenoxy)-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]propyl]acetamide IUPAC Name: 2-(4-fluorophenoxy)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]propyl]acetamide Traditional Name: 2-(4-fluorophenoxy)-N-[3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]acetamide Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCCNC(=O)COC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCCNC(=O)COC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O2/c1-25-14-15-26(21(16-25)18-6-3-2-4-7-18)13-5-12-24-22(27)17-28-20-10-8-19(23)9-11-20/h2-4,6-11,21H,5,12-17H2,1H3,(H,24,27)/p+1/t21-/m1/s1