(1S,2S)-2-azanyl-1-(6-octylpyridin-2-yl)propane-1,3-diol

Systemtic Name: (1S,2S)-2-azanyl-1-(6-octylpyridin-2-yl)propane-1,3-diol Openeye Name: (1S,2S)-2-amino-1-(6-octyl-2-pyridyl)propane-1,3-diol CAS Name: (1S,2S)-2-amino-1-(6-octyl-2-pyridinyl)propane-1,3-diol IUPAC Name: (1S,2S)-2-amino-1-(6-octylpyridin-2-yl)propane-1,3-diol Traditional Name: (1S,2S)-2-amino-1-(6-octyl-2-pyridyl)propane-1,3-diol Formula: C16H28N2O2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=CC=C1)C(C(CO)N)O

Isomeric SMILES

CCCCCCCCC1=NC(=CC=C1)[C@H]([C@H](CO)N)O

InChI

InChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-9-13-10-8-11-15(18-13)16(20)14(17)12-19/h8,10-11,14,16,19-20H,2-7,9,12,17H2,1H3/t14-,16-/m0/s1