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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-icosyl-pyridin-1-ium bromide Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-icosyl-pyridin-1-ium bromide CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-eicosylpyridin-1-ium bromide IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-icosylpyridin-1-ium bromide Traditional Name: 1-arachyl-4-[(E)-2-(4-behenyloxyphenyl)vinyl]pyridin-1-ium bromide Formula: C55H96BrNO MolecularWeight: 867.26084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H96NO.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-52-57-55-45-43-53(44-46-55)41-42-54-47-50-56(51-48-54)49-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2;/h41-48,50-51H,3-40,49,52H2,1-2H3;1H/q+1;/p-1/b42-41+;