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

Systemtic Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecyl-pyridin-1-ium Openeye Name: 4-[(E)-2-(4-docosoxyphenyl)vinyl]-1-dodecyl-pyridin-1-ium CAS Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecylpyridin-1-ium IUPAC Name: 4-[(E)-2-(4-docosoxyphenyl)ethenyl]-1-dodecylpyridin-1-ium Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-lauryl-pyridin-1-ium Formula: C47H80NO+ MolecularWeight: 675.1442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H80NO/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/q+1/b34-33+