dodecyl-dimethyl-(phenylmethyl)azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; tris(fluoranyl)methanesulfonate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; trifluoromethanesulfonate IUPAC Name: benzyl-dodecyl-dimethylazanium; trifluoromethanesulfonate Traditional Name: benzyl-lauryl-dimethyl-ammonium triflate Formula: C22H38F3NO3S MolecularWeight: 453.60223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.CHF3O3S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;2-1(3,4)8(5,6)7/h13-15,17-18H,4-12,16,19-20H2,1-3H3;(H,5,6,7)/q+1;/p-1