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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2C[NH2+]CCOC3=CN=CC=C3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2C[NH2+]CCOC3=CN=CC=C3)O

InChI

InChI=1S/C21H29N3O3S/c25-19(16-24-9-12-28-13-10-24)17-27-21-6-2-1-4-18(21)14-23-8-11-26-20-5-3-7-22-15-20/h1-7,15,19,23,25H,8-14,16-17H2/p+2/t19-/m0/s1