N-[4-[5-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2-methyl-but-3-yn-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[4-[5-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2-methyl-but-3-yn-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[3-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[4-[5-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]-2-fluorophenyl]-2-methylbut-3-yn-2-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[4-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluorophenyl]-2-methylbut-3-yn-2-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[3-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C33H22Cl2F5N3O5 MolecularWeight: 706.442896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)NC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)NC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C33H22Cl2F5N3O5/c1-32(2,42-31(46)18-6-9-43(47)10-7-18)8-5-19-13-25(35)27(16-26(19)37)41-29(44)17-48-28-4-3-22(34)15-24(28)30(45)20-11-21(33(38,39)40)14-23(36)12-20/h3-4,6-7,9-16H,17H2,1-2H3,(H,41,44)(H,42,46)