3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium

Systemtic Name: 3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium Openeye Name: 3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium CAS Name: 3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium IUPAC Name: 3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium Traditional Name: 3-ethyl-1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium Formula: C8H12Cl3N2+ MolecularWeight: 242.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[N+](N1C)C)C(Cl)(Cl)Cl

Isomeric SMILES

CCC1=CC(=[N+](N1C)C)C(Cl)(Cl)Cl

InChI

InChI=1S/C8H12Cl3N2/c1-4-6-5-7(8(9,10)11)13(3)12(6)2/h5H,4H2,1-3H3/q+1