2-[2-[(2-azanylpyridin-1-ium-1-yl)methyl]phenyl]ethanenitrile bromide

Systemtic Name: 2-[2-[(2-azanylpyridin-1-ium-1-yl)methyl]phenyl]ethanenitrile bromide Openeye Name: 2-[2-[(2-aminopyridin-1-ium-1-yl)methyl]phenyl]acetonitrile bromide CAS Name: 2-[2-[(2-amino-1-pyridin-1-iumyl)methyl]phenyl]acetonitrile bromide IUPAC Name: 2-[2-[(2-aminopyridin-1-ium-1-yl)methyl]phenyl]acetonitrile bromide Traditional Name: 2-[2-[(2-aminopyridin-1-ium-1-yl)methyl]phenyl]acetonitrile bromide Formula: C14H14BrN3 MolecularWeight: 304.18506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC#N)C[N+]2=CC=CC=C2N.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)CC#N)C[N+]2=CC=CC=C2N.[Br-]

InChI

InChI=1S/C14H13N3.BrH/c15-9-8-12-5-1-2-6-13(12)11-17-10-4-3-7-14(17)16;/h1-7,10,16H,8,11H2;1H