sodium (2S,3S)-3-phenyl-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-phenyl-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-1-benzyl-3-phenyl-aziridine-2-carboxylate CAS Name: sodium (2S,3S)-3-phenyl-1-(phenylmethyl)-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-1-benzyl-3-phenylaziridine-2-carboxylate Traditional Name: sodium (2S,3S)-1-benzyl-3-phenyl-ethylenimine-2-carboxylate Formula: C16H14NNaO2 MolecularWeight: 275.27763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C2C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H]([C@H]2C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H15NO2.Na/c18-16(19)15-14(13-9-5-2-6-10-13)17(15)11-12-7-3-1-4-8-12;/h1-10,14-15H,11H2,(H,18,19);/q;+1/p-1/t14-,15-,17?;/m0./s1