2-[1-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)imidazol-1-ium-1-yl]propane-1,3-diol

Systemtic Name: 2-[1-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)imidazol-1-ium-1-yl]propane-1,3-diol Openeye Name: 2-[1-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)imidazol-1-ium-1-yl]propane-1,3-diol CAS Name: 2-[1-(4-fluorophenyl)-4-(2-methoxy-4-pyrimidinyl)-1-imidazol-1-iumyl]propane-1,3-diol IUPAC Name: 2-[1-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)imidazol-1-ium-1-yl]propane-1,3-diol Traditional Name: 2-[1-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)imidazol-1-ium-1-yl]propane-1,3-diol Formula: C17H18FN4O3+ MolecularWeight: 345.348223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=N1)C2=C[N+](C=N2)(C3=CC=C(C=C3)F)C(CO)CO

Isomeric SMILES

COC1=NC=CC(=N1)C2=C[N+](C=N2)(C3=CC=C(C=C3)F)C(CO)CO

InChI

InChI=1S/C17H18FN4O3/c1-25-17-19-7-6-15(21-17)16-8-22(11-20-16,14(9-23)10-24)13-4-2-12(18)3-5-13/h2-8,11,14,23-24H,9-10H2,1H3/q+1