methyl (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R,5R)-4-cyano-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R,5R)-4-cyano-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R,5R)-4-cyano-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C([NH2+]1)C2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)[C@@H]1C[C@H]([C@@H]([NH2+]1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)12(15-11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3/p+1/t10-,11-,12-/m0/s1