2-(1,3-dimethylbenzimidazol-3-ium-2-yl)-N-methyl-N-(methyldiazenyl)propan-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)-N-methyl-N-(methyldiazenyl)propan-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)-N-methyl-N-methylazo-propan-2-amine; trifluoromethanesulfonate CAS Name: 2-(1,3-dimethyl-2-benzimidazol-3-iumyl)-N-methyl-N-methylazo-2-propanamine; trifluoromethanesulfonate IUPAC Name: 2-(1,3-dimethylbenzimidazol-3-ium-2-yl)-N-methyl-N-(methyldiazenyl)propan-2-amine; trifluoromethanesulfonate Traditional Name: [1-(1,3-dimethylbenzimidazol-3-ium-2-yl)-1-methyl-ethyl]-methyl-methylazo-amine triflate Formula: C15H22F3N5O3S MolecularWeight: 409.42709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=[N+](C2=CC=CC=C2N1C)C)N(C)N=NC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C1=[N+](C2=CC=CC=C2N1C)C)N(C)N=NC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H22N5.CHF3O3S/c1-14(2,19(6)16-15-3)13-17(4)11-9-7-8-10-12(11)18(13)5;2-1(3,4)8(5,6)7/h7-10H,1-6H3;(H,5,6,7)/q+1;/p-1