[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [2-(4-fluorophenyl)-4-quinolyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [2-(4-fluorophenyl)-4-quinolinyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [2-(4-fluorophenyl)-4-quinolyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C25H22FN4O+ MolecularWeight: 413.466783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O/c26-19-7-5-18(6-8-19)24-17-22(21-3-1-2-4-23(21)28-24)25(31)30-15-13-29(14-16-30)20-9-11-27-12-10-20/h1-12,17H,13-16H2/p+1