4-(hydroxymethyl)-6-(pyridin-3-ylmethylamino)cyclohex-4-ene-1,2,3-triol

Systemtic Name: 4-(hydroxymethyl)-6-(pyridin-3-ylmethylamino)cyclohex-4-ene-1,2,3-triol Openeye Name: 4-(hydroxymethyl)-6-(3-pyridylmethylamino)cyclohex-4-ene-1,2,3-triol CAS Name: 4-(hydroxymethyl)-6-(3-pyridinylmethylamino)cyclohex-4-ene-1,2,3-triol IUPAC Name: 4-(hydroxymethyl)-6-(pyridin-3-ylmethylamino)cyclohex-4-ene-1,2,3-triol Traditional Name: 4-methylol-6-(3-pyridylmethylamino)cyclohex-4-ene-1,2,3-triol Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2C=C(C(C(C2O)O)O)CO

Isomeric SMILES

C1=CC(=CN=C1)CNC2C=C(C(C(C2O)O)O)CO

InChI

InChI=1S/C13H18N2O4/c16-7-9-4-10(12(18)13(19)11(9)17)15-6-8-2-1-3-14-5-8/h1-5,10-13,15-19H,6-7H2