2-bromoethyl-hexadecyl-dimethyl-azanium; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 2-bromoethyl-hexadecyl-dimethyl-azanium; tris(fluoranyl)methanesulfonic acid Openeye Name: 2-bromoethyl-hexadecyl-dimethyl-ammonium; trifluoromethanesulfonic acid CAS Name: 2-bromoethyl-hexadecyl-dimethylammonium; trifluoromethanesulfonic acid IUPAC Name: 2-bromoethyl-hexadecyl-dimethylazanium; trifluoromethanesulfonic acid Traditional Name: 2-bromoethyl-cetyl-dimethyl-ammonium; triflic acid Formula: C21H44BrF3NO3S+ MolecularWeight: 527.54317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCBr.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCBr.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C20H43BrN.CHF3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21;2-1(3,4)8(5,6)7/h4-20H2,1-3H3;(H,5,6,7)/q+1;