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

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-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-(2-oxopyrrolidin-1-yl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(2-oxo-1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-[2-(2-ketopyrrolidino)ethyl]ammonium Formula: C20H33N3O3S+2 MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CC(=O)N(C1)CC[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H31N3O3S/c24-18(15-22-10-12-27-13-11-22)16-26-19-5-2-1-4-17(19)14-21-7-9-23-8-3-6-20(23)25/h1-2,4-5,18,21,24H,3,6-16H2/p+2/t18-/m0/s1