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

Systemtic Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanimine iodide Openeye Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanimine iodide CAS Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanimine iodide IUPAC Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanimine iodide Traditional Name: (E)-(1-methyl-1,2,4-triazol-4-ium-4-yl)-(1-phenylethylidene)amine iodide Formula: C11H13IN4 MolecularWeight: 328.15219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N+]1=CN(N=C1)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

C/C(=N\[N+]1=CN(N=C1)C)/C2=CC=CC=C2.[I-]

InChI

InChI=1S/C11H13N4.HI/c1-10(11-6-4-3-5-7-11)13-15-8-12-14(2)9-15;/h3-9H,1-2H3;1H/q+1;/p-1/b13-10+;