2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C26H28FN4O3+ MolecularWeight: 463.523923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN4O3/c27-20-7-5-19(6-8-20)24-17-22(21-3-1-2-4-23(21)28-24)26(33)31-11-9-29(10-12-31)18-25(32)30-13-15-34-16-14-30/h1-8,17H,9-16,18H2/p+1