1-[(2S,5R)-2-(hydroxymethyl)-5-(4-iodanylpyridin-3-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[(2S,5R)-2-(hydroxymethyl)-5-(4-iodanylpyridin-3-yl)pyrrolidin-1-yl]ethanone Openeye Name: 1-[(2S,5R)-2-(hydroxymethyl)-5-(4-iodo-3-pyridyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[(2S,5R)-2-(hydroxymethyl)-5-(4-iodo-3-pyridinyl)-1-pyrrolidinyl]ethanone IUPAC Name: 1-[(2S,5R)-2-(hydroxymethyl)-5-(4-iodopyridin-3-yl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[(2R,5S)-2-(4-iodo-3-pyridyl)-5-methylol-pyrrolidino]ethanone Formula: C12H15IN2O2 MolecularWeight: 346.16417

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CCC1C2=C(C=CN=C2)I)CO

Isomeric SMILES

CC(=O)N1[C@@H](CC[C@@H]1C2=C(C=CN=C2)I)CO

InChI

InChI=1S/C12H15IN2O2/c1-8(17)15-9(7-16)2-3-12(15)10-6-14-5-4-11(10)13/h4-6,9,12,16H,2-3,7H2,1H3/t9-,12+/m0/s1