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

Systemtic Name: N,N-dihexadecyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline iodide Openeye Name: N,N-dihexadecyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]aniline iodide CAS Name: N,N-dihexadecyl-4-[(E)-2-(1-methyl-4-quinolin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-dihexadecyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline iodide Traditional Name: dicetyl-[4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C50H81IN2 MolecularWeight: 837.09601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C3=CC=CC=C23)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C3=CC=CC=C23)C.[I-]

InChI

InChI=1S/C50H81N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-43-52(44-33-29-27-25-23-21-19-17-15-13-11-9-7-5-2)48-40-37-46(38-41-48)36-39-47-42-45-51(3)50-35-31-30-34-49(47)50;/h30-31,34-42,45H,4-29,32-33,43-44H2,1-3H3;1H/q+1;/p-1