7-methoxy-1,2-dimethyl-6-oxidanyl-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]quinolin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 7-methoxy-1,2-dimethyl-6-oxidanyl-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]quinolin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-6-hydroxy-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxamide; trifluoromethanesulfonate CAS Name: 6-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-7-methoxy-1,2-dimethyl-3-quinolin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 6-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-7-methoxy-1,2-dimethylquinolin-1-ium-3-carboxamide; trifluoromethanesulfonate Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-6-hydroxy-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxamide triflate Formula: C23H25F3N2O7S MolecularWeight: 530.51401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C(=CC2=[N+]1C)OC)O)C(=O)NC(CC3=CC=CC=C3)CO.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=C(C(=CC2=[N+]1C)OC)O)C(=O)N[C@@H](CC3=CC=CC=C3)CO.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H24N2O4.CHF3O3S/c1-14-18(10-16-11-20(26)21(28-3)12-19(16)24(14)2)22(27)23-17(13-25)9-15-7-5-4-6-8-15;2-1(3,4)8(5,6)7/h4-8,10-12,17,25H,9,13H2,1-3H3,(H-,23,26,27);(H,5,6,7)/t17-;/m0./s1