N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium-3-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=C[N+](=CC=C3)[O-]

Isomeric SMILES

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

InChI

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