2-(2-pyrimidin-1-ium-1-ylethyl)benzenecarbonitrile

Systemtic Name: 2-(2-pyrimidin-1-ium-1-ylethyl)benzenecarbonitrile Openeye Name: 2-(2-pyrimidin-1-ium-1-ylethyl)benzonitrile CAS Name: 2-[2-(1-pyrimidin-1-iumyl)ethyl]benzonitrile IUPAC Name: 2-(2-pyrimidin-1-ium-1-ylethyl)benzonitrile Traditional Name: 2-(2-pyrimidin-1-ium-1-ylethyl)benzonitrile Formula: C13H12N3+ MolecularWeight: 210.25448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC[N+]2=CC=CN=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CC[N+]2=CC=CN=C2)C#N

InChI

InChI=1S/C13H12N3/c14-10-13-5-2-1-4-12(13)6-9-16-8-3-7-15-11-16/h1-5,7-8,11H,6,9H2/q+1