1-butyl-3,5-dimethyl-pyridin-1-ium bromide

Systemtic Name: 1-butyl-3,5-dimethyl-pyridin-1-ium bromide Openeye Name: 1-butyl-3,5-dimethyl-pyridin-1-ium bromide CAS Name: 1-butyl-3,5-dimethylpyridin-1-ium bromide IUPAC Name: 1-butyl-3,5-dimethylpyridin-1-ium bromide Traditional Name: 1-butyl-3,5-dimethyl-pyridin-1-ium bromide Formula: C11H18BrN MolecularWeight: 244.17132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC(=CC(=C1)C)C.[Br-]

Isomeric SMILES

CCCC[N+]1=CC(=CC(=C1)C)C.[Br-]

InChI

InChI=1S/C11H18N.BrH/c1-4-5-6-12-8-10(2)7-11(3)9-12;/h7-9H,4-6H2,1-3H3;1H/q+1;/p-1