1-tridecylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-tridecylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-tridecylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-tridecyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-tridecylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-tridecylpyridin-1-ium-4-carbonitrile bromide Formula: C19H31BrN2 MolecularWeight: 367.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-16-13-19(18-20)14-17-21;/h13-14,16-17H,2-12,15H2,1H3;1H/q+1;/p-1