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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-tetradecyl-pyridin-1-ium bromide Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-tetradecyl-pyridin-1-ium bromide CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-tetradecylpyridin-1-ium bromide IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-tetradecylpyridin-1-ium bromide Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-myristyl-pyridin-1-ium bromide Formula: C49H84BrNO MolecularWeight: 783.10136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H84NO.BrH/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-46-51-49-39-37-47(38-40-49)35-36-48-41-44-50(45-42-48)43-33-31-29-27-25-16-14-12-10-8-6-4-2;/h35-42,44-45H,3-34,43,46H2,1-2H3;1H/q+1;/p-1/b36-35+;