sodium (2S,3S)-3-methyl-1-phenethyl-aziridine-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-methyl-1-phenethyl-aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-3-methyl-1-phenethyl-aziridine-2-carboxylate CAS Name: sodium (2S,3S)-3-methyl-1-phenethyl-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-3-methyl-1-phenethylaziridine-2-carboxylate Traditional Name: sodium (2S,3S)-3-methyl-1-phenethyl-ethylenimine-2-carboxylate Formula: C12H14NNaO2 MolecularWeight: 227.23483

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1CCC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@H]1[C@H](N1CCC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H15NO2.Na/c1-9-11(12(14)15)13(9)8-7-10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3,(H,14,15);/q;+1/p-1/t9-,11-,13?;/m0./s1