2-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-4,5-bis(4-methoxyphenyl)pyrimidine

Systemtic Name: 2-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-4,5-bis(4-methoxyphenyl)pyrimidine Openeye Name: 2-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-4,5-bis(4-methoxyphenyl)pyrimidine CAS Name: 2-[1-[(3-fluorophenyl)methyl]-4-pyridin-1-iumyl]-4,5-bis(4-methoxyphenyl)pyrimidine IUPAC Name: 2-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-4,5-bis(4-methoxyphenyl)pyrimidine Traditional Name: 2-[1-(3-fluorobenzyl)pyridin-1-ium-4-yl]-4,5-bis(4-methoxyphenyl)pyrimidine Formula: C30H25FN3O2+ MolecularWeight: 478.536803

Click to see the large picture

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)F

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)F

InChI

InChI=1S/C30H25FN3O2/c1-35-26-10-6-22(7-11-26)28-19-32-30(33-29(28)23-8-12-27(36-2)13-9-23)24-14-16-34(17-15-24)20-21-4-3-5-25(31)18-21/h3-19H,20H2,1-2H3/q+1