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

Systemtic Name: 1-decyl-4-[(E)-2-(4-docosoxyphenyl)ethenyl]pyridin-1-ium bromide Openeye Name: 1-decyl-4-[(E)-2-(4-docosoxyphenyl)vinyl]pyridin-1-ium bromide CAS Name: 1-decyl-4-[(E)-2-(4-docosoxyphenyl)ethenyl]pyridin-1-ium bromide IUPAC Name: 1-decyl-4-[(E)-2-(4-docosoxyphenyl)ethenyl]pyridin-1-ium bromide Traditional Name: 4-[(E)-2-(4-behenyloxyphenyl)vinyl]-1-decyl-pyridin-1-ium bromide Formula: C45H76BrNO MolecularWeight: 726.99504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H76NO.BrH/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-42-47-45-35-33-43(34-36-45)31-32-44-37-40-46(41-38-44)39-29-27-25-12-10-8-6-4-2;/h31-38,40-41H,3-30,39,42H2,1-2H3;1H/q+1;/p-1/b32-31+;