(2R)-1-[(4-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(4-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(4-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-cyanophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(4-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(4-cyanobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c14-8-10-3-5-11(6-4-10)9-15-7-1-2-12(15)13(16)17/h3-6,12H,1-2,7,9H2,(H,16,17)/t12-/m1/s1