1-ethenyl-3-methyl-benzotriazol-3-ium iodide

Systemtic Name: 1-ethenyl-3-methyl-benzotriazol-3-ium iodide Openeye Name: 1-methyl-3-vinyl-benzotriazol-1-ium iodide CAS Name: 1-ethenyl-3-methylbenzotriazol-3-ium iodide IUPAC Name: 1-ethenyl-3-methylbenzotriazol-3-ium iodide Traditional Name: 1-methyl-3-vinyl-benzotriazol-1-ium iodide Formula: C9H10IN3 MolecularWeight: 287.10027

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C2=CC=CC=C21)C=C.[I-]

Isomeric SMILES

C[N+]1=NN(C2=CC=CC=C21)C=C.[I-]

InChI

InChI=1S/C9H10N3.HI/c1-3-12-9-7-5-4-6-8(9)11(2)10-12;/h3-7H,1H2,2H3;1H/q+1;/p-1