1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; trifluoromethanesulfonate CAS Name: 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium; trifluoromethanesulfonate IUPAC Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; trifluoromethanesulfonate Traditional Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium triflate Formula: C13H22F3N3O3S MolecularWeight: 357.39229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCN2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H22N3.CHF3O3S/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;2-1(3,4)8(5,6)7/h8-9,11-13H,2-7,10H2,1H3;(H,5,6,7)/q+1;/p-1/t12-;/m0./s1