4-[[4-butyl-3-(furan-2-yl)-1,2,4-triazol-4-ium-4-yl]methyl]aniline

Systemtic Name: 4-[[4-butyl-3-(furan-2-yl)-1,2,4-triazol-4-ium-4-yl]methyl]aniline Openeye Name: 4-[[4-butyl-3-(2-furyl)-1,2,4-triazol-4-ium-4-yl]methyl]aniline CAS Name: 4-[[4-butyl-3-(2-furanyl)-1,2,4-triazol-4-ium-4-yl]methyl]aniline IUPAC Name: 4-[[4-butyl-3-(furan-2-yl)-1,2,4-triazol-4-ium-4-yl]methyl]aniline Traditional Name: [4-[[4-butyl-3-(2-furyl)-1,2,4-triazol-4-ium-4-yl]methyl]phenyl]amine Formula: C17H21N4O+ MolecularWeight: 297.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NN=C1C2=CC=CO2)CC3=CC=C(C=C3)N

Isomeric SMILES

CCCC[N+]1(C=NN=C1C2=CC=CO2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C17H21N4O/c1-2-3-10-21(12-14-6-8-15(18)9-7-14)13-19-20-17(21)16-5-4-11-22-16/h4-9,11,13H,2-3,10,12,18H2,1H3/q+1