3-[(1-oxidanidylquinolin-1-ium-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-[(1-oxidanidylquinolin-1-ium-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide Openeye Name: 3-[(1-oxidoquinolin-1-ium-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide CAS Name: 3-[(1-oxido-4-quinolin-1-iumyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-[(1-oxidoquinolin-1-ium-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Traditional Name: 3-[(1-oxidoquinolin-1-ium-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Formula: C22H16F3N3O3S MolecularWeight: 459.44095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H16F3N3O3S/c23-22(24,25)31-16-7-5-15(6-8-16)27-21(29)20-18(10-12-32-20)26-13-14-9-11-28(30)19-4-2-1-3-17(14)19/h1-12,26H,13H2,(H,27,29)