methyl (2R,3S)-2-(morpholin-4-ium-4-ylmethyl)-3-oxidanyl-3-pyridin-4-yl-propanoate

Systemtic Name: methyl (2R,3S)-2-(morpholin-4-ium-4-ylmethyl)-3-oxidanyl-3-pyridin-4-yl-propanoate Openeye Name: methyl (2R,3S)-3-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-3-(4-pyridyl)propanoate CAS Name: (2R,3S)-3-hydroxy-2-(4-morpholin-4-iumylmethyl)-3-pyridin-4-ylpropanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-3-pyridin-4-ylpropanoate Traditional Name: (2R,3S)-3-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-3-(4-pyridyl)propionic acid methyl ester Formula: C14H21N2O4+ MolecularWeight: 281.32754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C[NH+]1CCOCC1)C(C2=CC=NC=C2)O

Isomeric SMILES

COC(=O)[C@H](C[NH+]1CCOCC1)[C@@H](C2=CC=NC=C2)O

InChI

InChI=1S/C14H20N2O4/c1-19-14(18)12(10-16-6-8-20-9-7-16)13(17)11-2-4-15-5-3-11/h2-5,12-13,17H,6-10H2,1H3/p+1/t12-,13-/m1/s1