methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C13H24N3O3S2+ MolecularWeight: 334.47796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C13H23N3O3S2/c1-18-12(17)11-10-16(6-9-21-11)13(20)14-2-3-15-4-7-19-8-5-15/h11H,2-10H2,1H3,(H,14,20)/p+1/t11-/m1/s1