2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]acetamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]acetamide Formula: C21H25BrFN2O4+ MolecularWeight: 468.336603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC2=C(C=C(C=C2)F)Br)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COC2=C(C=C(C=C2)F)Br)[NH+]3CCOCC3

InChI

InChI=1S/C21H24BrFN2O4/c1-27-17-5-2-15(3-6-17)19(25-8-10-28-11-9-25)13-24-21(26)14-29-20-7-4-16(23)12-18(20)22/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)/p+1/t19-/m0/s1