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

Systemtic Name: sodium (2S,3S)-1-phenethyl-3-phenyl-aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-1-phenethyl-3-phenyl-aziridine-2-carboxylate CAS Name: sodium (2S,3S)-1-phenethyl-3-phenyl-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-1-phenethyl-3-phenylaziridine-2-carboxylate Traditional Name: sodium (2S,3S)-1-phenethyl-3-phenyl-ethylenimine-2-carboxylate Formula: C17H16NNaO2 MolecularWeight: 289.30421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(C2C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H]([C@H]2C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H17NO2.Na/c19-17(20)16-15(14-9-5-2-6-10-14)18(16)12-11-13-7-3-1-4-8-13;/h1-10,15-16H,11-12H2,(H,19,20);/q;+1/p-1/t15-,16-,18?;/m0./s1