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

Systemtic Name: (1-oxidanylcyclohexyl)methyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: (1-hydroxycyclohexyl)methyl-[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C21H36N2O3S+2 MolecularWeight: 396.58714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O)O

Isomeric SMILES

C1CCC(CC1)(C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O)O

InChI

InChI=1S/C21H34N2O3S/c24-19(15-23-10-12-27-13-11-23)16-26-20-7-3-2-6-18(20)14-22-17-21(25)8-4-1-5-9-21/h2-3,6-7,19,22,24-25H,1,4-5,8-17H2/p+2/t19-/m0/s1