(3S,4R,5R,6R)-6-(hydroxymethyl)-5-octoxy-1-octyl-piperidine-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-6-(hydroxymethyl)-5-octoxy-1-octyl-piperidine-3,4-diol Openeye Name: (3S,4R,5R,6R)-6-(hydroxymethyl)-5-octoxy-1-octyl-piperidine-3,4-diol CAS Name: (3S,4R,5R,6R)-6-(hydroxymethyl)-5-octoxy-1-octylpiperidine-3,4-diol IUPAC Name: (3S,4R,5R,6R)-6-(hydroxymethyl)-5-octoxy-1-octylpiperidine-3,4-diol Traditional Name: (3S,4R,5R,6R)-6-methylol-5-octoxy-1-octyl-piperidine-3,4-diol Formula: C22H45NO4 MolecularWeight: 387.597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(C(C(C1CO)OCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)OCCCCCCCC)O)O

InChI

InChI=1S/C22H45NO4/c1-3-5-7-9-11-13-15-23-17-20(25)21(26)22(19(23)18-24)27-16-14-12-10-8-6-4-2/h19-22,24-26H,3-18H2,1-2H3/t19-,20+,21-,22-/m1/s1