4-[3-(1,3-benzodioxol-5-yl)-1-phenyl-prop-2-ynylidene]morpholin-4-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-1-phenyl-prop-2-ynylidene]morpholin-4-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-1-phenyl-prop-2-ynylidene]morpholin-4-ium; trifluoromethanesulfonate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-ynylidene]morpholin-4-ium; trifluoromethanesulfonate IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-ynylidene]morpholin-4-ium; trifluoromethanesulfonate Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-1-phenyl-prop-2-ynylidene]morpholin-4-ium triflate Formula: C21H18F3NO6S MolecularWeight: 469.43093

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C(C#CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1COCC[N+]1=C(C#CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18NO3.CHF3O3S/c1-2-4-17(5-3-1)18(21-10-12-22-13-11-21)8-6-16-7-9-19-20(14-16)24-15-23-19;2-1(3,4)8(5,6)7/h1-5,7,9,14H,10-13,15H2;(H,5,6,7)/q+1;/p-1