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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1COCCC1C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H32N2O3S/c23-19(15-22-7-11-26-12-8-22)16-25-20-4-2-1-3-18(20)14-21-13-17-5-9-24-10-6-17/h1-4,17,19,21,23H,5-16H2/p+2/t19-/m0/s1