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

Systemtic Name: (2S,4R)-4-[(2-iodanylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-[(2-iodophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[(2-iodophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-[(2-iodophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2-iodobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14INO2 MolecularWeight: 331.14953

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CC2=CC=CC=C2I

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC=CC=C2I

InChI

InChI=1S/C12H14INO2/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8/h1-4,8,11,14H,5-7H2,(H,15,16)/t8-,11+/m1/s1