N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-4-(trifluoromethyl)benzamide Formula: C21H24F3N2O2+ MolecularWeight: 393.42267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O2/c1-15(25-20(27)17-7-9-18(10-8-17)21(22,23)24)19(16-5-3-2-4-6-16)26-11-13-28-14-12-26/h2-10,15,19H,11-14H2,1H3,(H,25,27)/p+1/t15-,19-/m1/s1