4,6-dimethyl-2-[4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]pyrimidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4,6-dimethyl-2-[4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]pyrimidin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4,6-dimethyl-2-[4-[1-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-ethyl]-1-piperidyl]pyrimidin-1-ium; 2,2,2-trifluoroacetate CAS Name: 4,6-dimethyl-2-[4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1-piperidinyl]pyrimidin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 4,6-dimethyl-2-[4-[2-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]pyrimidin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 4,6-dimethyl-2-[4-[1-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-ethyl]piperidino]pyrimidin-1-ium; 2,2,2-trifluoroacetate Formula: C23H27F6N3O4S MolecularWeight: 555.533599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCC(CC2)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCC(CC2)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C21H26F3N3O2S.C2HF3O2/c1-14-13-15(2)26-19(25-14)27-11-9-16(10-12-27)20(3,4)30(28,29)18-7-5-17(6-8-18)21(22,23)24;3-2(4,5)1(6)7/h5-8,13,16H,9-12H2,1-4H3;(H,6,7)