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

Systemtic Name: ethyl 4-[[2-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H33N3O4S/c1-2-27-21(26)24-9-7-22(8-10-24)15-18-5-3-4-6-20(18)28-17-19(25)16-23-11-13-29-14-12-23/h3-6,19,25H,2,7-17H2,1H3/p+1/t19-/m1/s1