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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=[N+]1C.[Br-]

Isomeric SMILES

CCCCCCC1=CC=CC=[N+]1C.[Br-]

InChI

InChI=1S/C12H20N.BrH/c1-3-4-5-6-9-12-10-7-8-11-13(12)2;/h7-8,10-11H,3-6,9H2,1-2H3;1H/q+1;/p-1