(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[(3-cyanophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(3-cyanobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N2O2/c14-7-10-3-1-2-9(4-10)5-11-6-12(13(16)17)15-8-11/h1-4,11-12,15H,5-6,8H2,(H,16,17)/t11-,12+/m1/s1