(5E)-5-[3-(2-chloroethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carbonitrile

Systemtic Name: (5E)-5-[3-(2-chloroethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carbonitrile Openeye Name: (5E)-5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carbonitrile CAS Name: (5E)-5-[3-(2-chloroethyl)-1-triazolidin-1-iumylidene]-4-imidazolecarbonitrile IUPAC Name: (5E)-5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carbonitrile Traditional Name: (5E)-5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carbonitrile Formula: C8H10ClN6+ MolecularWeight: 225.6582

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2C(=NC=N2)C#N)NN1CCCl

Isomeric SMILES

C1C/[N+](=C\2/C(=NC=N2)C#N)/NN1CCCl

InChI

InChI=1S/C8H10ClN6/c9-1-2-14-3-4-15(13-14)8-7(5-10)11-6-12-8/h6,13H,1-4H2/q+1