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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(3-phenylpropyl)ammonium Formula: C23H34N2O2S+2 MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCCC3=CC=CC=C3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O2S/c26-22(18-25-13-15-28-16-14-25)19-27-23-11-5-4-10-21(23)17-24-12-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,24,26H,6,9,12-19H2/p+2/t22-/m0/s1