hexyl (2S)-1-[(2S)-1-methoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate

Systemtic Name: hexyl (2S)-1-[(2S)-1-methoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate Openeye Name: hexyl (2S)-1-[(1S)-1-methoxycarbonylpropyl]aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2S)-1-methoxy-1-oxobutan-2-yl]-2-aziridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl (2S)-1-[(2S)-1-methoxy-1-oxobutan-2-yl]aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(1S)-1-carbomethoxypropyl]ethylenimin-1-ium-2-carboxylic acid hexyl ester Formula: C14H26NO4+ MolecularWeight: 272.36054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO4/c1-4-6-7-8-9-19-14(17)12-10-15(12)11(5-2)13(16)18-3/h11-12H,4-10H2,1-3H3/p+1/t11-,12-,15?/m0/s1