hexyl (2S)-1-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]aziridin-1-ium-2-carboxylate

Systemtic Name: hexyl (2S)-1-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]aziridin-1-ium-2-carboxylate Openeye Name: hexyl (2S)-1-[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2-aziridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl (2S)-1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]ethylenimin-1-ium-2-carboxylic acid hexyl ester Formula: C19H28NO4+ MolecularWeight: 334.42992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C[NH+]1C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1C[NH+]1[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H27NO4/c1-3-4-5-9-12-24-19(22)17-14-20(17)16(18(21)23-2)13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3/p+1/t16-,17-,20?/m0/s1