3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride

Systemtic Name: 3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride Openeye Name: 3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride CAS Name: 3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride IUPAC Name: 3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride Traditional Name: 3-tert-butyl-5-(chloromethyl)-1H-pyrazol-2-ium chloride Formula: C8H14Cl2N2 MolecularWeight: 209.11616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[NH+]NC(=C1)CCl.[Cl-]

Isomeric SMILES

CC(C)(C)C1=[NH+]NC(=C1)CCl.[Cl-]

InChI

InChI=1S/C8H13ClN2.ClH/c1-8(2,3)7-4-6(5-9)10-11-7;/h4H,5H2,1-3H3,(H,10,11);1H