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

Systemtic Name: 4-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[3-(3-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(=CC=C3)Cl.[I-]

Isomeric SMILES

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

InChI

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