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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecyl-pyridin-1-ium bromide Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-hexadecyl-pyridin-1-ium bromide CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecylpyridin-1-ium bromide IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecylpyridin-1-ium bromide Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-cetyl-pyridin-1-ium bromide Formula: C51H88BrNO MolecularWeight: 811.15452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H88NO.BrH/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-48-53-51-41-39-49(40-42-51)37-38-50-43-46-52(47-44-50)45-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2;/h37-44,46-47H,3-36,45,48H2,1-2H3;1H/q+1;/p-1/b38-37+;