1,1-dihexylpiperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,1-dihexylpiperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate Openeye Name: 1,1-dihexylpiperidin-1-ium-4-one; trifluoromethanesulfonate CAS Name: 1,1-dihexyl-4-piperidin-1-iumone; trifluoromethanesulfonate IUPAC Name: 1,1-dihexylpiperidin-1-ium-4-one; trifluoromethanesulfonate Traditional Name: 1,1-dihexylpiperidin-1-ium-4-one triflate Formula: C18H34F3NO4S MolecularWeight: 417.52707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCC(=O)CC1)CCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1(CCC(=O)CC1)CCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H34NO.CHF3O3S/c1-3-5-7-9-13-18(14-10-8-6-4-2)15-11-17(19)12-16-18;2-1(3,4)8(5,6)7/h3-16H2,1-2H3;(H,5,6,7)/q+1;/p-1