(1-methyl-3-morpholin-4-ylcarbonyl-quinolin-1-ium-5-yl) N,N-dimethylcarbamate; tris(fluoranyl)methanesulfonate

Systemtic Name: (1-methyl-3-morpholin-4-ylcarbonyl-quinolin-1-ium-5-yl) N,N-dimethylcarbamate; tris(fluoranyl)methanesulfonate Openeye Name: [1-methyl-3-(morpholine-4-carbonyl)quinolin-1-ium-5-yl] N,N-dimethylcarbamate; trifluoromethanesulfonate CAS Name: N,N-dimethylcarbamic acid [1-methyl-3-[4-morpholinyl(oxo)methyl]-5-quinolin-1-iumyl] ester; trifluoromethanesulfonate IUPAC Name: [1-methyl-3-(morpholine-4-carbonyl)quinolin-1-ium-5-yl] N,N-dimethylcarbamate; trifluoromethanesulfonate Traditional Name: N,N-dimethylcarbamic acid [1-methyl-3-(morpholine-4-carbonyl)quinolin-1-ium-5-yl] ester triflate Formula: C19H22F3N3O7S MolecularWeight: 493.45409

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=C(C2=CC(=C1)C(=O)N3CCOCC3)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)N3CCOCC3)OC(=O)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H22N3O4.CHF3O3S/c1-19(2)18(23)25-16-6-4-5-15-14(16)11-13(12-20(15)3)17(22)21-7-9-24-10-8-21;2-1(3,4)8(5,6)7/h4-6,11-12H,7-10H2,1-3H3;(H,5,6,7)/q+1;/p-1