methyl (2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-piperidin-1-yl-propanoate

Systemtic Name: methyl (2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-piperidin-1-yl-propanoate Openeye Name: methyl (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-(1-piperidyl)propanoate CAS Name: (2S,3R)-3-hydroxy-3-(1-oxido-2-pyridin-1-iumyl)-2-(1-piperidinyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-piperidin-1-ylpropanoate Traditional Name: (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-piperidino-propionic acid methyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=[N+]1[O-])O)N2CCCCC2

Isomeric SMILES

COC(=O)[C@H]([C@H](C1=CC=CC=[N+]1[O-])O)N2CCCCC2

InChI

InChI=1S/C14H20N2O4/c1-20-14(18)12(15-8-4-2-5-9-15)13(17)11-7-3-6-10-16(11)19/h3,6-7,10,12-13,17H,2,4-5,8-9H2,1H3/t12-,13-/m0/s1