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

Systemtic Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline bromide Openeye Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline bromide CAS Name: 4-[(E)-2-(1-hexyl-2-pyridin-1-iumyl)ethenyl]-N,N-dimethylaniline bromide IUPAC Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline bromide Traditional Name: [4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine bromide Formula: C21H29BrN2 MolecularWeight: 389.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N2.BrH/c1-4-5-6-8-17-23-18-9-7-10-21(23)16-13-19-11-14-20(15-12-19)22(2)3;/h7,9-16,18H,4-6,8,17H2,1-3H3;1H/q+1;/p-1