1-(diphenylmethyl)-1-methyl-azetidin-1-ium-3-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(diphenylmethyl)-1-methyl-azetidin-1-ium-3-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzhydryl-1-methyl-azetidin-1-ium-3-one; trifluoromethanesulfonate CAS Name: 1-(diphenylmethyl)-1-methyl-3-azetidin-1-iumone; trifluoromethanesulfonate IUPAC Name: 1-benzhydryl-1-methylazetidin-1-ium-3-one; trifluoromethanesulfonate Traditional Name: 1-benzhydryl-1-methyl-azetidin-1-ium-3-one triflate Formula: C18H18F3NO4S MolecularWeight: 401.40003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=O)C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CC(=O)C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18NO.CHF3O3S/c1-18(12-16(19)13-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;2-1(3,4)8(5,6)7/h2-11,17H,12-13H2,1H3;(H,5,6,7)/q+1;/p-1