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

Systemtic Name: 7-methoxy-1,2-dimethyl-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-6-phenylmethoxy-quinolin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-6-benzyloxy-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxamide; trifluoromethanesulfonate CAS Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-7-methoxy-1,2-dimethyl-6-phenylmethoxy-3-quinolin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-7-methoxy-1,2-dimethyl-6-phenylmethoxyquinolin-1-ium-3-carboxamide; trifluoromethanesulfonate Traditional Name: 6-benzoxy-N-[(1S)-1-benzyl-2-hydroxy-ethyl]-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxamide triflate Formula: C30H31F3N2O7S MolecularWeight: 620.63655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C(=CC2=[N+]1C)OC)OCC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)CO.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=C(C(=CC2=[N+]1C)OC)OCC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)CO.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H30N2O4.CHF3O3S/c1-20-25(29(33)30-24(18-32)14-21-10-6-4-7-11-21)15-23-16-28(27(34-3)17-26(23)31(20)2)35-19-22-12-8-5-9-13-22;2-1(3,4)8(5,6)7/h4-13,15-17,24,32H,14,18-19H2,1-3H3;(H,5,6,7)/t24-;/m0./s1