(4-methylsulfanylphenyl)methyl-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-morpholino-propoxy]benzyl]-[4-(methylthio)benzyl]ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OCC(CN3CCOCC3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OC[C@@H](CN3CCOCC3)O

InChI

InChI=1S/C22H30N2O3S/c1-28-22-7-5-18(6-8-22)14-23-15-19-3-2-4-21(13-19)27-17-20(25)16-24-9-11-26-12-10-24/h2-8,13,20,23,25H,9-12,14-17H2,1H3/p+1/t20-/m1/s1