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

Systemtic Name: (2S)-1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: (2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-carbonitrile; trifluoromethanesulfonate CAS Name: (2S)-1-methyl-1-(phenylmethyl)-2-pyrrolidin-1-iumcarbonitrile; trifluoromethanesulfonate IUPAC Name: (2S)-1-benzyl-1-methylpyrrolidin-1-ium-2-carbonitrile; trifluoromethanesulfonate Traditional Name: (2S)-1-benzyl-1-methyl-pyrrolidin-1-ium-2-carbonitrile triflate Formula: C14H17F3N2O3S MolecularWeight: 350.35659

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C#N)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2.CHF3O3S/c1-15(9-5-8-13(15)10-14)11-12-6-3-2-4-7-12;2-1(3,4)8(5,6)7/h2-4,6-7,13H,5,8-9,11H2,1H3;(H,5,6,7)/q+1;/p-1/t13-,15?;/m0./s1