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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CC1=C(N=CC=C1)CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H31N3O2S/c1-18-5-4-9-24-21(18)8-10-23-15-19-6-2-3-7-22(19)27-17-20(26)16-25-11-13-28-14-12-25/h2-7,9,20,23,26H,8,10-17H2,1H3/p+2/t20-/m1/s1