ethyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(4-pyridylmethyl)ammonium Formula: C22H33N3O2S+2 MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H31N3O2S/c1-2-24(15-19-7-9-23-10-8-19)16-20-5-3-4-6-22(20)27-18-21(26)17-25-11-13-28-14-12-25/h3-10,21,26H,2,11-18H2,1H3/p+2/t21-/m1/s1