(2R,3R)-4-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-3-pyridin-3-yl-morpholine-2-carboxylate

Systemtic Name: (2R,3R)-4-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-3-pyridin-3-yl-morpholine-2-carboxylate Openeye Name: (2R,3R)-4-[2-(dimethylammonio)ethyl]-5-oxo-3-(3-pyridyl)morpholine-2-carboxylate CAS Name: (2R,3R)-4-[2-(dimethylammonio)ethyl]-5-oxo-3-(3-pyridinyl)-2-morpholinecarboxylate IUPAC Name: (2R,3R)-4-[2-(dimethylazaniumyl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylate Traditional Name: (2R,3R)-4-[2-(dimethylammonio)ethyl]-5-keto-3-(3-pyridyl)morpholine-2-carboxylate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(OCC1=O)C(=O)[O-])C2=CN=CC=C2

Isomeric SMILES

C[NH+](C)CCN1[C@@H]([C@@H](OCC1=O)C(=O)[O-])C2=CN=CC=C2

InChI

InChI=1S/C14H19N3O4/c1-16(2)6-7-17-11(18)9-21-13(14(19)20)12(17)10-4-3-5-15-8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,19,20)/t12-,13-/m1/s1