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

Systemtic Name: 3-morpholin-4-ylpropyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(3-morpholinopropyl)ammonium Formula: C21H37N3O3S+2 MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCCN3CCOCC3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCCN3CCOCC3)O

InChI

InChI=1S/C21H35N3O3S/c25-20(17-24-10-14-28-15-11-24)18-27-21-5-2-1-4-19(21)16-22-6-3-7-23-8-12-26-13-9-23/h1-2,4-5,20,22,25H,3,6-18H2/p+2/t20-/m0/s1