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

Systemtic Name: 4,5-bis(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-thiazole iodide Openeye Name: 4,5-bis(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)thiazole iodide CAS Name: 4,5-bis(4-methoxyphenyl)-2-(1-methyl-4-pyridin-1-iumyl)thiazole iodide IUPAC Name: 4,5-bis(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-thiazole iodide Traditional Name: 4,5-bis(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)thiazole iodide Formula: C23H21IN2O2S MolecularWeight: 516.39451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC(=C(S2)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(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.[I-]

InChI

InChI=1S/C23H21N2O2S.HI/c1-25-14-12-18(13-15-25)23-24-21(16-4-8-19(26-2)9-5-16)22(28-23)17-6-10-20(27-3)11-7-17;/h4-15H,1-3H3;1H/q+1;/p-1