tert-butyl N-[(2R)-1-(1-oxidanidylpyridin-1-ium-4-yl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-(1-oxidanidylpyridin-1-ium-4-yl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(hydroxymethyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]carbamate CAS Name: N-[(2R)-1-hydroxy-3-(1-oxido-4-pyridin-1-iumyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-hydroxy-3-(1-oxidopyridin-1-ium-4-yl)propan-2-yl]carbamate Traditional Name: N-[(1R)-1-methylol-2-(1-oxidopyridin-1-ium-4-yl)ethyl]carbamic acid tert-butyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=[N+](C=C1)[O-])CO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=[N+](C=C1)[O-])CO

InChI

InChI=1S/C13H20N2O4/c1-13(2,3)19-12(17)14-11(9-16)8-10-4-6-15(18)7-5-10/h4-7,11,16H,8-9H2,1-3H3,(H,14,17)/t11-/m1/s1