N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine iodide

Systemtic Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine iodide Openeye Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine iodide CAS Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylmethanimine iodide IUPAC Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylmethanimine iodide Traditional Name: (E)-benzal-(1-methyl-1,2,4-triazol-4-ium-4-yl)amine iodide Formula: C10H11IN4 MolecularWeight: 314.12561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)N=CC2=CC=CC=C2.[I-]

Isomeric SMILES

CN1C=[N+](C=N1)/N=C/C2=CC=CC=C2.[I-]

InChI

InChI=1S/C10H11N4.HI/c1-13-9-14(8-12-13)11-7-10-5-3-2-4-6-10;/h2-9H,1H3;1H/q+1;/p-1/b11-7+;