2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H25BrFN2O4+ MolecularWeight: 468.336603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H24BrFN2O4/c1-27-17-4-6-19(28-2)15(11-17)13-24-7-9-25(10-8-24)21(26)14-29-20-5-3-16(23)12-18(20)22/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1