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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@]([NH2+]C1)(CC2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c14-9-11-5-2-1-4-10(11)8-13(12(16)17)6-3-7-15-13/h1-2,4-5,15H,3,6-8H2,(H,16,17)/t13-/m1/s1