2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide CAS Name: 2-(4-bromo-2-fluorophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide Formula: C21H25BrFN2O3+ MolecularWeight: 452.337203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H24BrFN2O3/c1-15-2-4-16(5-3-15)19(13-25-8-10-27-11-9-25)24-21(26)14-28-20-7-6-17(22)12-18(20)23/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)/p+1/t19-/m0/s1