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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]acetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide Formula: C22H28ClN2O2S+ MolecularWeight: 419.98792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-17(24-21(26)16-28-15-18-7-9-20(23)10-8-18)22(19-5-3-2-4-6-19)25-11-13-27-14-12-25/h2-10,17,22H,11-16H2,1H3,(H,24,26)/p+1/t17-,22-/m1/s1