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

Systemtic Name: sodium (2S,3S)-1-butyl-3-phenyl-aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-1-butyl-3-phenyl-aziridine-2-carboxylate CAS Name: sodium (2S,3S)-1-butyl-3-phenyl-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-1-butyl-3-phenylaziridine-2-carboxylate Traditional Name: sodium (2S,3S)-1-butyl-3-phenyl-ethylenimine-2-carboxylate Formula: C13H16NNaO2 MolecularWeight: 241.26141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C1C(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCN1[C@H]([C@H]1C(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H17NO2.Na/c1-2-3-9-14-11(12(14)13(15)16)10-7-5-4-6-8-10;/h4-8,11-12H,2-3,9H2,1H3,(H,15,16);/q;+1/p-1/t11-,12-,14?;/m0./s1