2-[(E)-prop-1-enyl]-1-prop-2-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[(E)-prop-1-enyl]-1-prop-2-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-[(E)-prop-1-enyl]-1-prop-2-ynyl-quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-[(E)-prop-1-enyl]-1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-[(E)-prop-1-enyl]-1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-propargyl-2-[(E)-prop-1-enyl]quinolin-1-ium triflate Formula: C16H14F3NO3S MolecularWeight: 357.34747

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=[N+](C2=CC=CC=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C/C=C/C1=[N+](C2=CC=CC=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H14N.CHF3O3S/c1-3-7-14-11-10-13-8-5-6-9-15(13)16(14)12-4-2;2-1(3,4)8(5,6)7/h2-3,5-11H,12H2,1H3;(H,5,6,7)/q+1;/p-1/b7-3+;