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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-tetrahydropyran-4-yl-ammonium Formula: C21H36N2O4S+2 MolecularWeight: 412.58654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC)C3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC)C3CCOCC3

InChI

InChI=1S/C21H34N2O4S/c1-22(18-5-9-26-10-6-18)14-17-3-4-20(21(13-17)25-2)27-16-19(24)15-23-7-11-28-12-8-23/h3-4,13,18-19,24H,5-12,14-16H2,1-2H3/p+2/t19-/m1/s1