(3S,5S,6R)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,5-diol

Systemtic Name: (3S,5S,6R)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,5-diol Openeye Name: (3S,5S,6R)-1-benzyl-6-(hydroxymethyl)azepane-3,5-diol CAS Name: (3S,5S,6R)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,5-diol IUPAC Name: (3S,5S,6R)-1-benzyl-6-(hydroxymethyl)azepane-3,5-diol Traditional Name: (3S,5S,6R)-1-benzyl-6-methylol-azepane-3,5-diol Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC(C1O)CO)CC2=CC=CC=C2)O

Isomeric SMILES

C1[C@@H](CN(C[C@@H]([C@H]1O)CO)CC2=CC=CC=C2)O

InChI

InChI=1S/C14H21NO3/c16-10-12-8-15(9-13(17)6-14(12)18)7-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13+,14+/m1/s1