1-methyl-1-(phenylmethyl)azetidin-1-ium-2-carbonitrile; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-1-(phenylmethyl)azetidin-1-ium-2-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-1-methyl-azetidin-1-ium-2-carbonitrile; trifluoromethanesulfonate CAS Name: 1-methyl-1-(phenylmethyl)-2-azetidin-1-iumcarbonitrile; trifluoromethanesulfonate IUPAC Name: 1-benzyl-1-methylazetidin-1-ium-2-carbonitrile; trifluoromethanesulfonate Traditional Name: 1-benzyl-1-methyl-azetidin-1-ium-2-carbonitrile triflate Formula: C13H15F3N2O3S MolecularWeight: 336.33001

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC1C#N)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC1C#N)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15N2.CHF3O3S/c1-14(8-7-12(14)9-13)10-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-6,12H,7-8,10H2,1H3;(H,5,6,7)/q+1;/p-1