1-methylquinolin-1-ium-7-carbaldehyde; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methylquinolin-1-ium-7-carbaldehyde; tris(fluoranyl)methanesulfonate Openeye Name: 1-methylquinolin-1-ium-7-carbaldehyde; trifluoromethanesulfonate CAS Name: 1-methyl-7-quinolin-1-iumcarboxaldehyde; trifluoromethanesulfonate IUPAC Name: 1-methylquinolin-1-ium-7-carbaldehyde; trifluoromethanesulfonate Traditional Name: 1-methylquinolin-1-ium-7-carbaldehyde triflate Formula: C12H10F3NO4S MolecularWeight: 321.27231

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)C=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)C=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H10NO.CHF3O3S/c1-12-6-2-3-10-5-4-9(8-13)7-11(10)12;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1