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

Systemtic Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide Openeye Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline iodide CAS Name: N,N-dihexadecyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide Traditional Name: dicetyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C46H79IN2 MolecularWeight: 787.03733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1