6,7-dimethoxy-1-methyl-N-(phenylmethyl)quinolin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 6,7-dimethoxy-1-methyl-N-(phenylmethyl)quinolin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-benzyl-6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carboxamide; trifluoromethanesulfonate CAS Name: 6,7-dimethoxy-1-methyl-N-(phenylmethyl)-3-quinolin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-benzyl-6,7-dimethoxy-1-methylquinolin-1-ium-3-carboxamide; trifluoromethanesulfonate Traditional Name: N-benzyl-6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carboxamide triflate Formula: C21H21F3N2O6S MolecularWeight: 486.46145

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C(=CC2=CC(=C1)C(=O)NCC3=CC=CC=C3)OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=C(C(=CC2=CC(=C1)C(=O)NCC3=CC=CC=C3)OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H20N2O3.CHF3O3S/c1-22-13-16(20(23)21-12-14-7-5-4-6-8-14)9-15-10-18(24-2)19(25-3)11-17(15)22;2-1(3,4)8(5,6)7/h4-11,13H,12H2,1-3H3;(H,5,6,7)