4-[(E)-2-(4-docosylthiophen-2-yl)ethenyl]-1-dodecyl-pyridin-1-ium iodide

Systemtic Name: 4-[(E)-2-(4-docosylthiophen-2-yl)ethenyl]-1-dodecyl-pyridin-1-ium iodide Openeye Name: 4-[(E)-2-(4-docosyl-2-thienyl)vinyl]-1-dodecyl-pyridin-1-ium iodide CAS Name: 4-[(E)-2-(4-docosyl-2-thiophenyl)ethenyl]-1-dodecylpyridin-1-ium iodide IUPAC Name: 4-[(E)-2-(4-docosylthiophen-2-yl)ethenyl]-1-dodecylpyridin-1-ium iodide Traditional Name: 4-[(E)-2-(4-behenyl-2-thienyl)vinyl]-1-lauryl-pyridin-1-ium iodide Formula: C45H78INS MolecularWeight: 792.07699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=CSC(=C1)C=CC2=CC=[N+](C=C2)CCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=CSC(=C1)/C=C/C2=CC=[N+](C=C2)CCCCCCCCCCCC.[I-]

InChI

InChI=1S/C45H78NS.HI/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-44-41-45(47-42-44)35-34-43-36-39-46(40-37-43)38-32-30-28-26-14-12-10-8-6-4-2;/h34-37,39-42H,3-33,38H2,1-2H3;1H/q+1;/p-1/b35-34+;