2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C22H27F3N3O4+ MolecularWeight: 454.46269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H26F3N3O4/c1-31-20-14-28(17(12-19(20)29)13-27-10-4-2-3-5-11-27)15-21(30)26-16-6-8-18(9-7-16)32-22(23,24)25/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H,26,30)/p+1