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

Systemtic Name: N,N-dibutyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline Openeye Name: N,N-dibutyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)vinyl]aniline CAS Name: N,N-dibutyl-4-[(E)-2-(1-octadecyl-4-pyridin-1-iumyl)ethenyl]aniline IUPAC Name: N,N-dibutyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline Traditional Name: dibutyl-[4-[(E)-2-(1-stearylpyridin-1-ium-4-yl)vinyl]phenyl]amine Formula: C39H65N2+ MolecularWeight: 561.9468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(CCCC)CCCC

InChI

InChI=1S/C39H65N2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-40-35-30-38(31-36-40)25-24-37-26-28-39(29-27-37)41(33-8-5-2)34-9-6-3/h24-31,35-36H,4-23,32-34H2,1-3H3/q+1