methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(2-piperidin-1-ylethyl)azanium

Systemtic Name: methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(2-piperidin-1-ylethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[2-(1-piperidyl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-methyl-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-methyl-(2-piperidinoethyl)ammonium Formula: C22H39N3O2S+2 MolecularWeight: 409.62896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1CCCCC1)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C[NH+](CCN1CCCCC1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H37N3O2S/c1-23(11-12-24-9-5-2-6-10-24)17-20-7-3-4-8-22(20)27-19-21(26)18-25-13-15-28-16-14-25/h3-4,7-8,21,26H,2,5-6,9-19H2,1H3/p+2/t21-/m1/s1