2,4,6-triphenyl-1-(piperidin-4-ylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,6-triphenyl-1-(piperidin-4-ylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,6-triphenyl-1-(4-piperidylmethyl)pyridin-1-ium CAS Name: trifluoromethanesulfonate; 2,4,6-triphenyl-1-(4-piperidinylmethyl)pyridin-1-ium IUPAC Name: trifluoromethanesulfonate; 2,4,6-triphenyl-1-(piperidin-4-ylmethyl)pyridin-1-ium Traditional Name: 2,4,6-triphenyl-1-(4-piperidylmethyl)pyridin-1-ium triflate Formula: C30H29F3N2O3S MolecularWeight: 554.62307

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CNCCC1C[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H29N2.CHF3O3S/c1-4-10-24(11-5-1)27-20-28(25-12-6-2-7-13-25)31(22-23-16-18-30-19-17-23)29(21-27)26-14-8-3-9-15-26;2-1(3,4)8(5,6)7/h1-15,20-21,23,30H,16-19,22H2;(H,5,6,7)/q+1;/p-1