N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide

Systemtic Name: N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide Openeye Name: N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)vinyl]aniline iodide CAS Name: N,N-dihexyl-4-[(E)-2-(1-octadecyl-4-pyridin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide Traditional Name: dihexyl-[4-[(E)-2-(1-stearylpyridin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C43H73IN2 MolecularWeight: 744.95759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(CCCCCC)CCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(CCCCCC)CCCCCC.[I-]

InChI

InChI=1S/C43H73N2.HI/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-36-44-39-34-42(35-40-44)29-28-41-30-32-43(33-31-41)45(37-26-11-8-5-2)38-27-12-9-6-3;/h28-35,39-40H,4-27,36-38H2,1-3H3;1H/q+1;/p-1