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

Systemtic Name: (3-methylsulfanylphenyl)methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[3-(methylthio)benzyl]ammonium Formula: C22H32N2O2S2+2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H30N2O2S2/c1-27-21-7-4-5-18(13-21)14-23-15-19-6-2-3-8-22(19)26-17-20(25)16-24-9-11-28-12-10-24/h2-8,13,20,23,25H,9-12,14-17H2,1H3/p+2/t20-/m1/s1