3-(3-bromophenyl)-5-(4-ethoxyphenyl)-4-fluoranyl-1-methyl-pyridin-1-ium nitrate

Systemtic Name: 3-(3-bromophenyl)-5-(4-ethoxyphenyl)-4-fluoranyl-1-methyl-pyridin-1-ium nitrate Openeye Name: 3-(3-bromophenyl)-5-(4-ethoxyphenyl)-4-fluoro-1-methyl-pyridin-1-ium nitrate CAS Name: 3-(3-bromophenyl)-5-(4-ethoxyphenyl)-4-fluoro-1-methylpyridin-1-ium nitrate IUPAC Name: 3-(3-bromophenyl)-5-(4-ethoxyphenyl)-4-fluoro-1-methylpyridin-1-ium nitrate Traditional Name: 3-(3-bromophenyl)-4-fluoro-1-methyl-5-p-phenetyl-pyridin-1-ium nitrate Formula: C20H18BrFN2O4 MolecularWeight: 449.270323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C[N+](=CC(=C2F)C3=CC(=CC=C3)Br)C.[N+](=O)([O-])[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C[N+](=CC(=C2F)C3=CC(=CC=C3)Br)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H18BrFNO.NO3/c1-3-24-17-9-7-14(8-10-17)18-12-23(2)13-19(20(18)22)15-5-4-6-16(21)11-15;2-1(3)4/h4-13H,3H2,1-2H3;/q+1;-1