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

Systemtic Name: 5-morpholin-4-ylpentyl-[[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-(5-morpholinopentyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[5-(4-morpholinyl)pentyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(5-morpholin-4-ylpentyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(5-morpholinopentyl)ammonium Formula: C23H41N3O3S+2 MolecularWeight: 439.65494

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCCCCN3CCOCC3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCCCCN3CCOCC3)O

InChI

InChI=1S/C23H39N3O3S/c27-22(19-26-12-16-30-17-13-26)20-29-23-7-3-2-6-21(23)18-24-8-4-1-5-9-25-10-14-28-15-11-25/h2-3,6-7,22,24,27H,1,4-5,8-20H2/p+2/t22-/m0/s1