2,4,5-trimethyl-6-(2-phenyl-2-piperidin-1-ium-1-ylidene-ethyl)pyrimidine; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,5-trimethyl-6-(2-phenyl-2-piperidin-1-ium-1-ylidene-ethyl)pyrimidine; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,5-trimethyl-6-(2-phenyl-2-piperidin-1-ium-1-ylidene-ethyl)pyrimidine CAS Name: trifluoromethanesulfonate; 2,4,5-trimethyl-6-[2-phenyl-2-(1-piperidin-1-iumylidene)ethyl]pyrimidine IUPAC Name: trifluoromethanesulfonate; 2,4,5-trimethyl-6-(2-phenyl-2-piperidin-1-ium-1-ylideneethyl)pyrimidine Traditional Name: 2,4,5-trimethyl-6-(2-phenyl-2-piperidin-1-ium-1-ylidene-ethyl)pyrimidine triflate Formula: C21H26F3N3O3S MolecularWeight: 457.50965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1CC(=[N+]2CCCCC2)C3=CC=CC=C3)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(N=C(N=C1CC(=[N+]2CCCCC2)C3=CC=CC=C3)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26N3.CHF3O3S/c1-15-16(2)21-17(3)22-19(15)14-20(18-10-6-4-7-11-18)23-12-8-5-9-13-23;2-1(3,4)8(5,6)7/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3;(H,5,6,7)/q+1;/p-1