4-methyl-2-[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(2R)-1-(4-morpholin-4-iumyl)propan-2-yl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl]thiazole-5-carboxylate Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)C[NH+]2CCOCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@H](C)C[NH+]2CCOCC2)C(=O)[O-]

InChI

InChI=1S/C12H18N2O3S/c1-8(7-14-3-5-17-6-4-14)11-13-9(2)10(18-11)12(15)16/h8H,3-7H2,1-2H3,(H,15,16)/t8-/m1/s1