(2R,3S)-2-(pyridin-2-ylmethylamino)hexane-1,3-diol

Systemtic Name: (2R,3S)-2-(pyridin-2-ylmethylamino)hexane-1,3-diol Openeye Name: (2R,3S)-2-(2-pyridylmethylamino)hexane-1,3-diol CAS Name: (2R,3S)-2-(2-pyridinylmethylamino)hexane-1,3-diol IUPAC Name: (2R,3S)-2-(pyridin-2-ylmethylamino)hexane-1,3-diol Traditional Name: (2R,3S)-2-(2-pyridylmethylamino)hexane-1,3-diol Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)NCC1=CC=CC=N1)O

Isomeric SMILES

CCC[C@@H]([C@@H](CO)NCC1=CC=CC=N1)O

InChI

InChI=1S/C12H20N2O2/c1-2-5-12(16)11(9-15)14-8-10-6-3-4-7-13-10/h3-4,6-7,11-12,14-16H,2,5,8-9H2,1H3/t11-,12+/m1/s1