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

Systemtic Name: butyl (2S)-1-[(2S)-1-methoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C12H22NO4+ MolecularWeight: 244.30738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-4-6-7-17-12(15)10-8-13(10)9(5-2)11(14)16-3/h9-10H,4-8H2,1-3H3/p+1/t9-,10-,13?/m0/s1