N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C17H16F3N3O3 MolecularWeight: 367.32245

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)13-1-2-15(22-7-9-26-10-8-22)14(11-13)21-16(24)12-3-5-23(25)6-4-12/h1-6,11H,7-10H2,(H,21,24)