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

Systemtic Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline bromide Openeye Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline bromide CAS Name: 4-[(E)-2-(1-dodecyl-2-pyridin-1-iumyl)ethenyl]-N,N-dimethylaniline bromide IUPAC Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline bromide Traditional Name: [4-[(E)-2-(1-laurylpyridin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine bromide Formula: C27H41BrN2 MolecularWeight: 473.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N2.BrH/c1-4-5-6-7-8-9-10-11-12-14-23-29-24-15-13-16-27(29)22-19-25-17-20-26(21-18-25)28(2)3;/h13,15-22,24H,4-12,14,23H2,1-3H3;1H/q+1;/p-1