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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=N3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCC3=CC=CC=N3)O

InChI

InChI=1S/C21H29N3O2S/c25-20(16-24-11-13-27-14-12-24)17-26-21-7-2-1-5-18(21)15-22-10-8-19-6-3-4-9-23-19/h1-7,9,20,22,25H,8,10-17H2/p+2/t20-/m0/s1