hexyl (2R)-1-(2-methyl-1-oxidanyl-propan-2-yl)aziridin-1-ium-2-carboxylate

Systemtic Name: hexyl (2R)-1-(2-methyl-1-oxidanyl-propan-2-yl)aziridin-1-ium-2-carboxylate Openeye Name: hexyl (2R)-1-(2-hydroxy-1,1-dimethyl-ethyl)aziridin-1-ium-2-carboxylate CAS Name: (2R)-1-(1-hydroxy-2-methylpropan-2-yl)-2-aziridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl (2R)-1-(1-hydroxy-2-methylpropan-2-yl)aziridin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-hydroxy-1,1-dimethyl-ethyl)ethylenimin-1-ium-2-carboxylic acid hexyl ester Formula: C13H26NO3+ MolecularWeight: 244.35044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C[NH+]1C(C)(C)CO

Isomeric SMILES

CCCCCCOC(=O)[C@H]1C[NH+]1C(C)(C)CO

InChI

InChI=1S/C13H25NO3/c1-4-5-6-7-8-17-12(16)11-9-14(11)13(2,3)10-15/h11,15H,4-10H2,1-3H3/p+1/t11-,14?/m1/s1