(2R,4R)-1-(5-methylpyridin-1-ium-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4R)-1-(5-methylpyridin-1-ium-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4R)-4-hydroxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-(5-methyl-2-pyridin-1-iumyl)-2-pyrrolidinecarboxylate IUPAC Name: (2R,4R)-4-hydroxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Traditional Name: (2R,4R)-4-hydroxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CC(CC2C(=O)[O-])O

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2C[C@@H](C[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C11H14N2O3/c1-7-2-3-10(12-5-7)13-6-8(14)4-9(13)11(15)16/h2-3,5,8-9,14H,4,6H2,1H3,(H,15,16)/t8-,9-/m1/s1