methyl (2R)-4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C14H18NO5S+ MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C14H17NO5S/c1-18-14(17)13-7-15(2-3-21-13)6-9-4-11-12(5-10(9)16)20-8-19-11/h4-5,13,16H,2-3,6-8H2,1H3/p+1/t13-/m1/s1