5,6-bis(4-methoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazine iodide

Systemtic Name: 5,6-bis(4-methoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazine iodide Openeye Name: 5,6-bis(4-methoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazine iodide CAS Name: 5,6-bis(4-methoxyphenyl)-3-(1-methyl-4-pyridin-1-iumyl)-1,2,4-triazine iodide IUPAC Name: 5,6-bis(4-methoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazine iodide Traditional Name: 5,6-bis(4-methoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazine iodide Formula: C23H21IN4O2 MolecularWeight: 512.34291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.[I-]

InChI

InChI=1S/C23H21N4O2.HI/c1-27-14-12-18(13-15-27)23-24-21(16-4-8-19(28-2)9-5-16)22(25-26-23)17-6-10-20(29-3)11-7-17;/h4-15H,1-3H3;1H/q+1;/p-1