4,5-bis(4-methoxyphenyl)-2-(1-phenethylpyridin-1-ium-4-yl)pyrimidine iodide

Systemtic Name: 4,5-bis(4-methoxyphenyl)-2-(1-phenethylpyridin-1-ium-4-yl)pyrimidine iodide Openeye Name: 4,5-bis(4-methoxyphenyl)-2-(1-phenethylpyridin-1-ium-4-yl)pyrimidine iodide CAS Name: 4,5-bis(4-methoxyphenyl)-2-(1-phenethyl-4-pyridin-1-iumyl)pyrimidine iodide IUPAC Name: 4,5-bis(4-methoxyphenyl)-2-(1-phenethylpyridin-1-ium-4-yl)pyrimidine iodide Traditional Name: 4,5-bis(4-methoxyphenyl)-2-(1-phenethylpyridin-1-ium-4-yl)pyrimidine iodide Formula: C31H28IN3O2 MolecularWeight: 601.47739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)OC)C4=CC=[N+](C=C4)CCC5=CC=CC=C5.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)OC)C4=CC=[N+](C=C4)CCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C31H28N3O2.HI/c1-35-27-12-8-24(9-13-27)29-22-32-31(33-30(29)25-10-14-28(36-2)15-11-25)26-17-20-34(21-18-26)19-16-23-6-4-3-5-7-23;/h3-15,17-18,20-22H,16,19H2,1-2H3;1H/q+1;/p-1