[3-(dimethylcarbamoyl)-1-methyl-quinolin-1-ium-5-yl] N,N-dimethylcarbamate; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(dimethylcarbamoyl)-1-methyl-quinolin-1-ium-5-yl] N,N-dimethylcarbamate; tris(fluoranyl)methanesulfonate Openeye Name: [3-(dimethylcarbamoyl)-1-methyl-quinolin-1-ium-5-yl] N,N-dimethylcarbamate; trifluoromethanesulfonate CAS Name: N,N-dimethylcarbamic acid [3-[dimethylamino(oxo)methyl]-1-methyl-5-quinolin-1-iumyl] ester; trifluoromethanesulfonate IUPAC Name: [3-(dimethylcarbamoyl)-1-methylquinolin-1-ium-5-yl] N,N-dimethylcarbamate; trifluoromethanesulfonate Traditional Name: N,N-dimethylcarbamic acid [3-(dimethylcarbamoyl)-1-methyl-quinolin-1-ium-5-yl] ester triflate Formula: C17H20F3N3O6S MolecularWeight: 451.41741

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=C(C2=CC(=C1)C(=O)N(C)C)OC(=O)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=C(C2=CC(=C1)C(=O)N(C)C)OC(=O)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H20N3O3.CHF3O3S/c1-17(2)15(20)11-9-12-13(19(5)10-11)7-6-8-14(12)22-16(21)18(3)4;2-1(3,4)8(5,6)7/h6-10H,1-5H3;(H,5,6,7)/q+1;/p-1