methyl 6-[1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium-3-yl]hexanoate

Systemtic Name: methyl 6-[1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium-3-yl]hexanoate Openeye Name: methyl 6-[1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium-3-yl]hexanoate CAS Name: 6-[1,2-dimethyl-5-(trichloromethyl)-3-pyrazol-1-iumyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium-3-yl]hexanoate Traditional Name: 6-[1,2-dimethyl-5-(trichloromethyl)pyrazol-1-ium-3-yl]hexanoic acid methyl ester Formula: C13H20Cl3N2O2+ MolecularWeight: 342.6691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C(Cl)(Cl)Cl)CCCCCC(=O)OC

Isomeric SMILES

CN1C(=CC(=[N+]1C)C(Cl)(Cl)Cl)CCCCCC(=O)OC

InChI

InChI=1S/C13H20Cl3N2O2/c1-17-10(7-5-4-6-8-12(19)20-3)9-11(18(17)2)13(14,15)16/h9H,4-8H2,1-3H3/q+1