4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]-N,N-diethyl-aniline bromide

Systemtic Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]-N,N-diethyl-aniline bromide Openeye Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)vinyl]-N,N-diethyl-aniline bromide CAS Name: 4-[(E)-2-(1-dodecyl-2-pyridin-1-iumyl)ethenyl]-N,N-diethylaniline bromide IUPAC Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]-N,N-diethylaniline bromide Traditional Name: diethyl-[4-[(E)-2-(1-laurylpyridin-1-ium-2-yl)vinyl]phenyl]amine bromide Formula: C29H45BrN2 MolecularWeight: 501.585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(CC)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(CC)CC.[Br-]

InChI

InChI=1S/C29H45N2.BrH/c1-4-7-8-9-10-11-12-13-14-16-25-31-26-17-15-18-28(31)22-19-27-20-23-29(24-21-27)30(5-2)6-3;/h15,17-24,26H,4-14,16,25H2,1-3H3;1H/q+1;/p-1