N-[3-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-fluoro-4-(4-phenylpiperazino)phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H27FN4O2/c23-20-16-18(24-22(28)17-25-12-14-29-15-13-25)6-7-21(20)27-10-8-26(9-11-27)19-4-2-1-3-5-19/h1-7,16H,8-15,17H2,(H,24,28)/p+1