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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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