ethyl 1-(1,3-diphenylprop-2-ynylidene)piperidin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 1-(1,3-diphenylprop-2-ynylidene)piperidin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-(1,3-diphenylprop-2-ynylidene)piperidin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 1-(1,3-diphenylprop-2-ynylidene)-3-piperidin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-(1,3-diphenylprop-2-ynylidene)piperidin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 1-(1,3-diphenylprop-2-ynylidene)piperidin-1-ium-3-carboxylic acid ethyl ester triflate Formula: C24H24F3NO5S MolecularWeight: 495.51127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+](=C(C#CC2=CC=CC=C2)C3=CC=CC=C3)C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCC[N+](=C(C#CC2=CC=CC=C2)C3=CC=CC=C3)C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H24NO2.CHF3O3S/c1-2-26-23(25)21-14-9-17-24(18-21)22(20-12-7-4-8-13-20)16-15-19-10-5-3-6-11-19;2-1(3,4)8(5,6)7/h3-8,10-13,21H,2,9,14,17-18H2,1H3;(H,5,6,7)/q+1;/p-1