1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium; trifluoromethanesulfonate CAS Name: 1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium; trifluoromethanesulfonate Traditional Name: 1-(1,3-diphenylprop-2-ynylidene)azepan-1-ium triflate Formula: C22H22F3NO3S MolecularWeight: 437.47519

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C(C#CC2=CC=CC=C2)C3=CC=CC=C3)CC1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC[N+](=C(C#CC2=CC=CC=C2)C3=CC=CC=C3)CC1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H22N.CHF3O3S/c1-2-10-18-22(17-9-1)21(20-13-7-4-8-14-20)16-15-19-11-5-3-6-12-19;2-1(3,4)8(5,6)7/h3-8,11-14H,1-2,9-10,17-18H2;(H,5,6,7)/q+1;/p-1