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

Systemtic Name: 1-adamantyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C24H38N2O2S+2 MolecularWeight: 418.63572

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H36N2O2S/c27-22(16-26-5-7-29-8-6-26)17-28-23-4-2-1-3-21(23)15-25-24-12-18-9-19(13-24)11-20(10-18)14-24/h1-4,18-20,22,25,27H,5-17H2/p+2/t18?,19?,20?,22-,24?/m0/s1