(3R,4S,6S)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,4-diol

Systemtic Name: (3R,4S,6S)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,4-diol Openeye Name: (3R,4S,6S)-1-benzyl-6-(hydroxymethyl)azepane-3,4-diol CAS Name: (3R,4S,6S)-6-(hydroxymethyl)-1-(phenylmethyl)azepane-3,4-diol IUPAC Name: (3R,4S,6S)-1-benzyl-6-(hydroxymethyl)azepane-3,4-diol Traditional Name: (3R,4S,6S)-1-benzyl-6-methylol-azepane-3,4-diol Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c16-10-12-6-13(17)14(18)9-15(8-12)7-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14+/m0/s1