2-(1-methyl-1,2,4-triazol-4-ium-4-yl)ethanenitrile chloride

Systemtic Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)ethanenitrile chloride Openeye Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile chloride CAS Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile chloride IUPAC Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile chloride Traditional Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetonitrile chloride Formula: C5H7ClN4 MolecularWeight: 158.58888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)CC#N.[Cl-]

Isomeric SMILES

CN1C=[N+](C=N1)CC#N.[Cl-]

InChI

InChI=1S/C5H7N4.ClH/c1-8-5-9(3-2-6)4-7-8;/h4-5H,3H2,1H3;1H/q+1;/p-1