benzenesulfonate; 5-chloranyl-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium

Systemtic Name: benzenesulfonate; 5-chloranyl-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium Openeye Name: benzenesulfonate; 5-chloro-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium CAS Name: benzenesulfonate; 5-chloro-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium IUPAC Name: benzenesulfonate; 5-chloro-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium Traditional Name: 5-chloro-1-ethyl-2-methyl-3-octyl-6-(trifluoromethyl)benzimidazol-3-ium besylate Formula: C25H32ClF3N2O3S MolecularWeight: 533.04639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(C2=C1C=C(C(=C2)C(F)(F)F)Cl)CC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+]1=C(N(C2=C1C=C(C(=C2)C(F)(F)F)Cl)CC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H27ClF3N2.C6H6O3S/c1-4-6-7-8-9-10-11-25-14(3)24(5-2)17-12-15(19(21,22)23)16(20)13-18(17)25;7-10(8,9)6-4-2-1-3-5-6/h12-13H,4-11H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1