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

Systemtic Name: methyl-(oxan-4-yl)-[[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-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-methyl-tetrahydropyran-4-yl-ammonium Formula: C20H34N2O3S+2 MolecularWeight: 382.56056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCSCC2)O)C3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1OC[C@@H](C[NH+]2CCSCC2)O)C3CCOCC3

InChI

InChI=1S/C20H32N2O3S/c1-21(18-6-10-24-11-7-18)14-17-4-2-3-5-20(17)25-16-19(23)15-22-8-12-26-13-9-22/h2-5,18-19,23H,6-16H2,1H3/p+2/t19-/m1/s1