3-(3-propylbenzimidazol-3-ium-1-yl)propanenitrile

Systemtic Name: 3-(3-propylbenzimidazol-3-ium-1-yl)propanenitrile Openeye Name: 3-(3-propylbenzimidazol-3-ium-1-yl)propanenitrile CAS Name: 3-(3-propyl-1-benzimidazol-3-iumyl)propanenitrile IUPAC Name: 3-(3-propylbenzimidazol-3-ium-1-yl)propanenitrile Traditional Name: 3-(3-propylbenzimidazol-3-ium-1-yl)propionitrile Formula: C13H16N3+ MolecularWeight: 214.28624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CN(C2=CC=CC=C21)CCC#N

Isomeric SMILES

CCC[N+]1=CN(C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C13H16N3/c1-2-9-15-11-16(10-5-8-14)13-7-4-3-6-12(13)15/h3-4,6-7,11H,2,5,9-10H2,1H3/q+1