2-methyl-4-phenyl-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-4-phenyl-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-4-phenyl-isoquinolin-2-ium; trifluoromethanesulfonate CAS Name: 2-methyl-4-phenylisoquinolin-2-ium; trifluoromethanesulfonate IUPAC Name: 2-methyl-4-phenylisoquinolin-2-ium; trifluoromethanesulfonate Traditional Name: 2-methyl-4-phenyl-isoquinolin-2-ium triflate Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=C1)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=C1)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N.CHF3O3S/c1-17-11-14-9-5-6-10-15(14)16(12-17)13-7-3-2-4-8-13;2-1(3,4)8(5,6)7/h2-12H,1H3;(H,5,6,7)/q+1;/p-1