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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-phenethylammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-phenethylazanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-phenethyl-ammonium Formula: C22H32N2O2S+2 MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=C3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O2S/c25-21(17-24-12-14-27-15-13-24)18-26-22-9-5-4-8-20(22)16-23-11-10-19-6-2-1-3-7-19/h1-9,21,23,25H,10-18H2/p+2/t21-/m0/s1