2-(4-fluorophenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide Formula: C21H26FN2O2S+ MolecularWeight: 389.506743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O2S/c1-16(23-20(25)15-27-19-9-7-18(22)8-10-19)21(17-5-3-2-4-6-17)24-11-13-26-14-12-24/h2-10,16,21H,11-15H2,1H3,(H,23,25)/p+1/t16-,21-/m1/s1