5-fluoranyl-1-pyrimidin-1-ium-1-yl-hexadecane-2,6-diol

Systemtic Name: 5-fluoranyl-1-pyrimidin-1-ium-1-yl-hexadecane-2,6-diol Openeye Name: 5-fluoro-1-pyrimidin-1-ium-1-yl-hexadecane-2,6-diol CAS Name: 5-fluoro-1-(1-pyrimidin-1-iumyl)hexadecane-2,6-diol IUPAC Name: 5-fluoro-1-pyrimidin-1-ium-1-ylhexadecane-2,6-diol Traditional Name: 5-fluoro-1-pyrimidin-1-ium-1-yl-hexadecane-2,6-diol Formula: C20H36FN2O2+ MolecularWeight: 355.510443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCC(C[N+]1=CC=CN=C1)O)F)O

Isomeric SMILES

CCCCCCCCCCC(C(CCC(C[N+]1=CC=CN=C1)O)F)O

InChI

InChI=1S/C20H36FN2O2/c1-2-3-4-5-6-7-8-9-11-20(25)19(21)13-12-18(24)16-23-15-10-14-22-17-23/h10,14-15,17-20,24-25H,2-9,11-13,16H2,1H3/q+1