3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propanenitrile Openeye Name: 3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propanenitrile CAS Name: 3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propanenitrile IUPAC Name: 3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propanenitrile Traditional Name: 3-(1-butyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)propionitrile Formula: C15H19N4+ MolecularWeight: 255.33816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC(=N1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

CCCC[N+]1(C=NC(=N1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C15H19N4/c1-2-3-11-19(12-7-10-16)13-17-15(18-19)14-8-5-4-6-9-14/h4-6,8-9,13H,2-3,7,11-12H2,1H3/q+1