4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-octadecyl-pyridin-1-ium bromide

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-octadecyl-pyridin-1-ium bromide Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-octadecyl-pyridin-1-ium bromide CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-octadecylpyridin-1-ium bromide IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-octadecylpyridin-1-ium bromide Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-stearyl-pyridin-1-ium bromide Formula: C53H92BrNO MolecularWeight: 839.20768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C53H92NO.BrH/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-50-55-53-43-41-51(42-44-53)39-40-52-45-48-54(49-46-52)47-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2;/h39-46,48-49H,3-38,47,50H2,1-2H3;1H/q+1;/p-1/b40-39+;