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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecyl-pyridin-1-ium Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-hexadecyl-pyridin-1-ium CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecylpyridin-1-ium IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-hexadecylpyridin-1-ium Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-cetyl-pyridin-1-ium Formula: C51H88NO+ MolecularWeight: 731.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H88NO/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/q+1/b38-37+