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

Systemtic Name: 2-(4-oxidanylpiperidin-1-yl)ethyl-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(4-hydroxy-1-piperidyl)ethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-(4-hydroxy-1-piperidinyl)ethyl-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-(4-hydroxypiperidin-1-yl)ethyl-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-(4-hydroxypiperidino)ethyl-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C21H37N3O3S+2 MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CN(CCC1O)CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H35N3O3S/c25-19-5-8-23(9-6-19)10-7-22-15-18-3-1-2-4-21(18)27-17-20(26)16-24-11-13-28-14-12-24/h1-4,19-20,22,25-26H,5-17H2/p+2/t20-/m1/s1