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

Systemtic Name: methyl 1-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H36N2O5S+2 MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)OC)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)OC)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H34N2O5S/c1-27-21-13-17(14-23-7-5-18(6-8-23)22(26)28-2)3-4-20(21)29-16-19(25)15-24-9-11-30-12-10-24/h3-4,13,18-19,25H,5-12,14-16H2,1-2H3/p+2/t19-/m1/s1