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

Systemtic Name: N,N-dibutyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline iodide Openeye Name: N,N-dibutyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)vinyl]aniline iodide CAS Name: N,N-dibutyl-4-[(E)-2-(1-octadecyl-4-quinolin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-dibutyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline iodide Traditional Name: dibutyl-[4-[(E)-2-(1-stearylquinolin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C43H67IN2 MolecularWeight: 738.90995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCC)CCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(CCCC)CCCC.[I-]

InChI

InChI=1S/C43H67N2.HI/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-45-38-34-40(42-26-23-24-27-43(42)45)31-28-39-29-32-41(33-30-39)44(35-8-5-2)36-9-6-3;/h23-24,26-34,38H,4-22,25,35-37H2,1-3H3;1H/q+1;/p-1