N,N-diethyl-1-(phenylmethyl)pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonic acid

Systemtic Name: N,N-diethyl-1-(phenylmethyl)pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-benzyl-N,N-diethyl-pyridin-1-ium-4-amine; trifluoromethanesulfonic acid CAS Name: N,N-diethyl-1-(phenylmethyl)-4-pyridin-1-iumamine; trifluoromethanesulfonic acid IUPAC Name: 1-benzyl-N,N-diethylpyridin-1-ium-4-amine; trifluoromethanesulfonic acid Traditional Name: (1-benzylpyridin-1-ium-4-yl)-diethyl-amine; triflic acid Formula: C17H22F3N2O3S+ MolecularWeight: 391.42839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=[N+](C=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=[N+](C=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C16H21N2.CHF3O3S/c1-3-18(4-2)16-10-12-17(13-11-16)14-15-8-6-5-7-9-15;2-1(3,4)8(5,6)7/h5-13H,3-4,14H2,1-2H3;(H,5,6,7)/q+1;