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

Systemtic Name: (2-methylphenyl)methyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(o-tolylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(2-methylbenzyl)ammonium Formula: C22H32N2O2S+2 MolecularWeight: 388.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H30N2O2S/c1-18-6-2-3-7-19(18)14-23-15-20-8-4-5-9-22(20)26-17-21(25)16-24-10-12-27-13-11-24/h2-9,21,23,25H,10-17H2,1H3/p+2/t21-/m1/s1