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

Systemtic Name: (4-methylsulfanylphenyl)methyl-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-[4-(methylthio)benzyl]ammonium Formula: C22H32N2O3S+2 MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCOCC3)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+2/t20-/m0/s1