2-(1H-imidazol-5-yl)ethyl-[[2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl-[[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-[2-(1H-imidazol-5-yl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(1H-imidazol-5-yl)ethyl]ammonium Formula: C19H30N4O2S+2 MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCC3=CN=CN3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCC3=CN=CN3)O

InChI

InChI=1S/C19H28N4O2S/c24-18(13-23-7-9-26-10-8-23)14-25-19-4-2-1-3-16(19)11-20-6-5-17-12-21-15-22-17/h1-4,12,15,18,20,24H,5-11,13-14H2,(H,21,22)/p+2/t18-/m0/s1