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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecyl-pyridin-1-ium bromide Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-dodecyl-pyridin-1-ium bromide CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecylpyridin-1-ium bromide IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecylpyridin-1-ium bromide Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-lauryl-pyridin-1-ium bromide Formula: C47H80BrNO MolecularWeight: 755.0482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H80NO.BrH/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-44-49-47-37-35-45(36-38-47)33-34-46-39-42-48(43-40-46)41-31-29-27-25-14-12-10-8-6-4-2;/h33-40,42-43H,3-32,41,44H2,1-2H3;1H/q+1;/p-1/b34-33+;