2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]ethanone Formula: C21H19BrClFN3O2+ MolecularWeight: 479.749863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H18BrClFN3O2/c22-14-1-4-20(17(24)11-14)29-13-21(28)27-9-7-26(8-10-27)19-5-6-25-18-12-15(23)2-3-16(18)19/h1-6,11-12H,7-10,13H2/p+1