4,5-bis(4-methoxyphenyl)-2-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyrimidine iodide

Systemtic Name: 4,5-bis(4-methoxyphenyl)-2-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyrimidine iodide Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine iodide CAS Name: 4,5-bis(4-methoxyphenyl)-2-[1-(phenylmethyl)-4-pyridin-1-iumyl]pyrimidine iodide IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine iodide Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine iodide Formula: C30H26IN3O2 MolecularWeight: 587.45081

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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)CC5=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)CC5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H26N3O2.HI/c1-34-26-12-8-23(9-13-26)28-20-31-30(32-29(28)24-10-14-27(35-2)15-11-24)25-16-18-33(19-17-25)21-22-6-4-3-5-7-22;/h3-20H,21H2,1-2H3;1H/q+1;/p-1