1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium; trifluoromethanesulfonate CAS Name: 1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium; trifluoromethanesulfonate IUPAC Name: 1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium; trifluoromethanesulfonate Traditional Name: 1,3-bis(4-methoxyphenyl)-1,3,2-diazaphospholidin-2-ium triflate Formula: C17H20F3N2O5PS MolecularWeight: 452.385071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN([PH2+]2)C3=CC=C(C=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN([PH2+]2)C3=CC=C(C=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H19N2O2P.CHF3O3S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14;2-1(3,4)8(5,6)7/h3-10,21H,11-12H2,1-2H3;(H,5,6,7)