4-[2-(4,5-diphenyl-1,2,3-triazol-1-yl)ethyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[2-(4,5-diphenyl-1,2,3-triazol-1-yl)ethyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methyl-pyridin-1-ium CAS Name: 4-[2-(4,5-diphenyl-1-triazolyl)ethyl]-1-methylpyridin-1-ium IUPAC Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methylpyridin-1-ium Traditional Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methyl-pyridin-1-ium Formula: C22H21N4+ MolecularWeight: 341.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N4/c1-25-15-12-18(13-16-25)14-17-26-22(20-10-6-3-7-11-20)21(23-24-26)19-8-4-2-5-9-19/h2-13,15-16H,14,17H2,1H3/q+1