(5S,6S)-2-methyl-5-oxidanyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate

Systemtic Name: (5S,6S)-2-methyl-5-oxidanyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate Openeye Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate CAS Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate IUPAC Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate Traditional Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate Formula: C6H10N2O3 MolecularWeight: 158.1552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]CC(C(N1)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1