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

Systemtic Name: 4-[2-(4,5-diphenyl-1,2,3-triazol-1-yl)ethyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[2-(4,5-diphenyl-1-triazolyl)ethyl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[2-(4,5-diphenyltriazol-1-yl)ethyl]-1-methyl-pyridin-1-ium iodide Formula: C22H21IN4 MolecularWeight: 468.33341

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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N4.HI/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;1H/q+1;/p-1