4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-di(pentadecyl)aniline iodide

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-di(pentadecyl)aniline iodide Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N,N-di(pentadecyl)aniline iodide CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N,N-di(pentadecyl)aniline iodide IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-di(pentadecyl)aniline iodide Traditional Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]-di(pentadecyl)amine iodide Formula: C44H75IN2 MolecularWeight: 758.98417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C44H75N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-38-46(39-29-27-25-23-21-19-17-15-13-11-9-7-5-2)44-34-32-42(33-35-44)30-31-43-36-40-45(3)41-37-43;/h30-37,40-41H,4-29,38-39H2,1-3H3;1H/q+1;/p-1