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

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[[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-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H38N3O3S+3 MolecularWeight: 412.60972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H35N3O3S/c25-20(17-24-10-14-28-15-11-24)18-27-21-5-2-1-4-19(21)16-22-6-3-7-23-8-12-26-13-9-23/h1-2,4-5,20,22,25H,3,6-18H2/p+3/t20-/m0/s1