1-hexyl-2-methyl-pyridin-1-ium bromide

Systemtic Name: 1-hexyl-2-methyl-pyridin-1-ium bromide Openeye Name: 1-hexyl-2-methyl-pyridin-1-ium bromide CAS Name: 1-hexyl-2-methylpyridin-1-ium bromide IUPAC Name: 1-hexyl-2-methylpyridin-1-ium bromide Traditional Name: 1-hexyl-2-methyl-pyridin-1-ium bromide Formula: C12H20BrN MolecularWeight: 258.1979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C.[Br-]

Isomeric SMILES

CCCCCC[N+]1=CC=CC=C1C.[Br-]

InChI

InChI=1S/C12H20N.BrH/c1-3-4-5-7-10-13-11-8-6-9-12(13)2;/h6,8-9,11H,3-5,7,10H2,1-2H3;1H/q+1;/p-1