2-(2-fluoranylphenoxy)-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3F

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O2/c1-18(24-22(27)17-28-21-10-6-5-9-20(21)23)11-12-25-13-15-26(16-14-25)19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1