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

Systemtic Name: N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide CAS Name: N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]acetamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-18(23-21(25)17-27-16-19-8-4-2-5-9-19)22(20-10-6-3-7-11-20)24-12-14-26-15-13-24/h2-11,18,22H,12-17H2,1H3,(H,23,25)/p+1/t18-,22-/m1/s1