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

Systemtic Name: 4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methyl-pyridin-1-ium iodide Formula: C14H12ClIN4 MolecularWeight: 398.62935

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC(=NN2)C3=CC=C(C=C3)Cl.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC(=NN2)C3=CC=C(C=C3)Cl.[I-]

InChI

InChI=1S/C14H11ClN4.HI/c1-19-8-6-11(7-9-19)14-16-13(17-18-14)10-2-4-12(15)5-3-10;/h2-9H,1H3;1H