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

Systemtic Name: N,N-diethyl-4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]aniline bromide Openeye Name: N,N-diethyl-4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]aniline bromide CAS Name: N,N-diethyl-4-[(E)-2-(1-hexyl-2-pyridin-1-iumyl)ethenyl]aniline bromide IUPAC Name: N,N-diethyl-4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]aniline bromide Traditional Name: diethyl-[4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]phenyl]amine bromide Formula: C23H33BrN2 MolecularWeight: 417.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N2.BrH/c1-4-7-8-10-19-25-20-11-9-12-22(25)16-13-21-14-17-23(18-15-21)24(5-2)6-3;/h9,11-18,20H,4-8,10,19H2,1-3H3;1H/q+1;/p-1