2-chloranyl-1-methyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-chloranyl-1-methyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-chloro-1-methyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate CAS Name: 2-chloro-1-methyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 2-chloro-1-methyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate Traditional Name: 2-chloro-1-methyl-3,3a-dihydrocyclohept[d]imidazol-1-ium triflate Formula: C10H10ClF3N2O3S MolecularWeight: 330.71121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2C1=CC=CC=C2)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(NC2C1=CC=CC=C2)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9ClN2.CHF3O3S/c1-12-8-6-4-2-3-5-7(8)11-9(12)10;2-1(3,4)8(5,6)7/h2-7H,1H3;(H,5,6,7)