N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(trifluoromethylsulfanyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(trifluoromethylthio)benzamide Formula: C21H24F3N2O3S+ MolecularWeight: 441.48707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O3S/c1-28-17-6-2-15(3-7-17)19(26-10-12-29-13-11-26)14-25-20(27)16-4-8-18(9-5-16)30-21(22,23)24/h2-9,19H,10-14H2,1H3,(H,25,27)/p+1/t19-/m0/s1