5-(4-methoxyphenyl)-2-(1-octadecylpyridin-1-ium-4-yl)pyrimidine bromide

Systemtic Name: 5-(4-methoxyphenyl)-2-(1-octadecylpyridin-1-ium-4-yl)pyrimidine bromide Openeye Name: 5-(4-methoxyphenyl)-2-(1-octadecylpyridin-1-ium-4-yl)pyrimidine bromide CAS Name: 5-(4-methoxyphenyl)-2-(1-octadecyl-4-pyridin-1-iumyl)pyrimidine bromide IUPAC Name: 5-(4-methoxyphenyl)-2-(1-octadecylpyridin-1-ium-4-yl)pyrimidine bromide Traditional Name: 5-(4-methoxyphenyl)-2-(1-stearylpyridin-1-ium-4-yl)pyrimidine bromide Formula: C34H50BrN3O MolecularWeight: 596.6843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N3O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37-26-23-31(24-27-37)34-35-28-32(29-36-34)30-19-21-33(38-2)22-20-30;/h19-24,26-29H,3-18,25H2,1-2H3;1H/q+1;/p-1