2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide

Systemtic Name: 2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide Openeye Name: 2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide CAS Name: 2-(1-ethyl-4-pyridin-1-iumyl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide IUPAC Name: 2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide Traditional Name: 2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine bromide Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N3O2.BrH/c1-4-28-15-13-20(14-16-28)25-26-17-23(18-5-9-21(29-2)10-6-18)24(27-25)19-7-11-22(30-3)12-8-19;/h5-17H,4H2,1-3H3;1H/q+1;/p-1