N-(2-chlorophenyl)-2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(6-fluoro-8-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C22H23ClFN4O+ MolecularWeight: 413.895623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)CC3=C4C(=CC(=C3)F)C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)CC3=C4C(=CC(=C3)F)C=CC=N4

InChI

InChI=1S/C22H22ClFN4O/c23-19-5-1-2-6-20(19)26-21(29)15-28-10-8-27(9-11-28)14-17-13-18(24)12-16-4-3-7-25-22(16)17/h1-7,12-13H,8-11,14-15H2,(H,26,29)/p+1