3-(3-propylimidazol-3-ium-1-yl)propanenitrile bromide

Systemtic Name: 3-(3-propylimidazol-3-ium-1-yl)propanenitrile bromide Openeye Name: 3-(3-propylimidazol-3-ium-1-yl)propanenitrile bromide CAS Name: 3-(3-propyl-1-imidazol-3-iumyl)propanenitrile bromide IUPAC Name: 3-(3-propylimidazol-3-ium-1-yl)propanenitrile bromide Traditional Name: 3-(3-propylimidazol-3-ium-1-yl)propionitrile bromide Formula: C9H14BrN3 MolecularWeight: 244.13156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CN(C=C1)CCC#N.[Br-]

Isomeric SMILES

CCC[N+]1=CN(C=C1)CCC#N.[Br-]

InChI

InChI=1S/C9H14N3.BrH/c1-2-5-11-7-8-12(9-11)6-3-4-10;/h7-9H,2-3,5-6H2,1H3;1H/q+1;/p-1