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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C22H33N3O2S+2 MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCCC3=CN=CC=C3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCCC3=CN=CC=C3)O

InChI

InChI=1S/C22H31N3O2S/c26-21(17-25-11-13-28-14-12-25)18-27-22-8-2-1-7-20(22)16-24-10-4-6-19-5-3-9-23-15-19/h1-3,5,7-9,15,21,24,26H,4,6,10-14,16-18H2/p+2/t21-/m0/s1