(5-bromanyl-2-fluoranyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-fluoro-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-fluorophenyl)-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-fluorophenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-fluoro-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C20H23BrFN2O3+ MolecularWeight: 438.310623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O3/c1-26-16-3-5-17(6-4-16)27-13-12-23-8-10-24(11-9-23)20(25)18-14-15(21)2-7-19(18)22/h2-7,14H,8-13H2,1H3/p+1