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

Systemtic Name: 1-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium iodide Openeye Name: 1-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium iodide CAS Name: 1-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium iodide IUPAC Name: 1-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium iodide Traditional Name: 1-methyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium iodide Formula: C14H13IN4 MolecularWeight: 364.18429

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C14H13N4.HI/c1-18-9-5-8-12(10-18)14-15-13(16-17-14)11-6-3-2-4-7-11;/h2-10H,1H3,(H,15,16,17);1H/q+1;/p-1